64927
 OpenBabel05082101102D

 64 63  0  0  1  0  0  0  0  0999 V2000
    4.8194    0.6305    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    6.4685    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.0179   12.0710    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9030    7.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8840   12.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1519   11.5710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5179   12.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9030    5.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5179   11.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9476    7.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3495    3.6546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3495    0.6546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    5.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0815    5.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    4.1546    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.0815    6.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0815    3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9476    8.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8136    6.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3495    2.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8136    8.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6796    7.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4834    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5895    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5895    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0035    5.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6049    5.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2936    5.0720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6921    5.7623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6786    4.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8695    7.2372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4710    6.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8125    3.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7715    3.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6185    3.3446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3915    4.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7355    8.7372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3370    8.0470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4151    6.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2121    6.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1236    8.1177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3505    8.9646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5036    9.1916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9896    6.6177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2165    7.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3696    7.6916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7524    2.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    3.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7524    0.8446    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5967    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1477    2.4875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.6585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2130    7.8715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4209   12.2610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6150   11.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8280   13.4740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 10  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4 59  1  0  0  0  0
  5 60  1  0  0  0  0
  6 61  1  0  0  0  0
  7 62  1  0  0  0  0
  8 63  1  0  0  0  0
  9 64  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 12 21  1  0  0  0  0
 13 17  1  0  0  0  0
 13 22  1  0  0  0  0
 13 40  1  0  0  0  0
 14 27  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 18  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 38  1  0  0  0  0
 18 39  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 23  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 24  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 26 29  2  0  0  0  0
 26 54  1  0  0  0  0
 27 30  1  0  0  0  0
 28 31  2  0  0  0  0
 28 55  1  0  0  0  0
 29 56  1  0  0  0  0
 30 32  2  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
64927

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
359

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
11

>  <PUBCHEM_CACTVS_HBOND_DONOR>
7

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7PAMEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAACx8AAAHAIQCCAADCrBHiQ+wPPIEBCgQzRnRICCgCAxByAI2KA4ZpgIIOLB09GEJAhgkADIyAcQgIAOBAAAAAICAAAIAAAABAQAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine;phosphoric acid

>  <PUBCHEM_IUPAC_CAS_NAME>
N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine;phosphoric acid

>  <PUBCHEM_IUPAC_NAME_MARKUP>
4-<I>N</I>-(7-chloroquinolin-4-yl)-1-<I>N</I>,1-<I>N</I>-diethylpentane-1,4-diamine;phosphoric acid

>  <PUBCHEM_IUPAC_NAME>
4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;phosphoric acid

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine;phosphoric acid

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine;phosphoric acid

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H26ClN3.2H3O4P/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*(H3,1,2,3,4)

>  <PUBCHEM_IUPAC_INCHIKEY>
QKICWELGRMTQCR-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
515.135317

>  <PUBCHEM_MOLECULAR_FORMULA>
C18H32ClN3O8P2

>  <PUBCHEM_MOLECULAR_WEIGHT>
515.9

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

>  <PUBCHEM_CACTVS_TPSA>
184

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
515.135317

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
32

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
3

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
14  27  8
14  29  8
17  19  3
22  25  8
22  26  8
25  27  8
25  28  8
26  29  8
27  30  8
28  31  8
30  32  8
31  32  8

$$$$
