6285
 OpenBabel05082101102D

 30 28  0  0  0  0  0  0  0  0999 V2000
    2.0190    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0
    2.2690    4.7690    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    5.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7690    3.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5335    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7365    5.7439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044    3.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8015    3.7940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    6.0335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2940    5.2365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    3.5044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2439    4.3015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    4.4590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    5.3059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.0790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    4.2320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.1910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    7.0380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  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
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  8  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
>  <PUBCHEM_COMPOUND_CID>
6285

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
47.5

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAAAAAAAADBAAQCAAMAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
tetraethylammonium;bromide

>  <PUBCHEM_IUPAC_CAS_NAME>
tetraethylammonium;bromide

>  <PUBCHEM_IUPAC_NAME_MARKUP>
tetraethylazanium;bromide

>  <PUBCHEM_IUPAC_NAME>
tetraethylazanium;bromide

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
tetraethylazanium;bromide

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
tetraethylammonium;bromide

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H20N.BrH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1

>  <PUBCHEM_IUPAC_INCHIKEY>
HWCKGOZZJDHMNC-UHFFFAOYSA-M

>  <PUBCHEM_EXACT_MASS>
209.07791

>  <PUBCHEM_MOLECULAR_FORMULA>
C8H20BrN

>  <PUBCHEM_MOLECULAR_WEIGHT>
210.16

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC[N+](CC)(CC)CC.[Br-]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC[N+](CC)(CC)CC.[Br-]

>  <PUBCHEM_CACTVS_TPSA>
0

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
209.07791

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
10

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$
