11079
 OpenBabel05082101102D

 32 33  0  0  0  0  0  0  0  0999 V2000
    2.5760    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    4.7277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9797    3.3265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    4.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    4.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5016    3.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0016    3.1186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8163    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    6.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    5.7863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    7.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7103    7.8557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6163    6.3002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6163    7.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1623    4.2384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5609    4.9287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0867    4.4453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352    2.8664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932    2.5289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0418    5.3342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    6.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    5.1664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503    8.4410    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    7.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7031    8.4756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521    5.9881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1521    7.6539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5760    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 15  2  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11079

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
272

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
2

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAQAAAAAwYAAAAAAAAADBUAAAHAAQAAAADADBGAQxAMLAAACgAiJiJAACAAEgAAAJiIA4AIgIYCKAmRGUIAAgkACIiAcQgMAOgAACAAAQAAAAAAQAACAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(1-naphthylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

>  <PUBCHEM_IUPAC_CAS_NAME>
2-(1-naphthalenylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

>  <PUBCHEM_IUPAC_NAME_MARKUP>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1<I>H</I>-imidazole;hydrochloride

>  <PUBCHEM_IUPAC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole;hydrochloride

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(1-naphthylmethyl)-2-imidazoline;hydrochloride

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H

>  <PUBCHEM_IUPAC_INCHIKEY>
DJDFFEBSKJCGHC-UHFFFAOYSA-N

>  <PUBCHEM_EXACT_MASS>
246.092376

>  <PUBCHEM_MOLECULAR_FORMULA>
C14H15ClN2

>  <PUBCHEM_MOLECULAR_WEIGHT>
246.73

>  <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl

>  <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN=C(N1)CC2=CC=CC3=CC=CC=C32.Cl

>  <PUBCHEM_CACTVS_TPSA>
24.4

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
246.092376

>  <PUBCHEM_TOTAL_CHARGE>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
17

>  <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

>  <PUBCHEM_BONDANNOTATIONS>
10  13  8
10  15  8
11  14  8
12  16  8
13  14  8
15  17  8
16  17  8
5  11  8
5  7  8
7  10  8
7  12  8

$$$$
