11292
  -OEChem-05072408432D

 41 42  0     0  0  0  0  0  0999 V2000
    3.2326    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    8.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    8.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    8.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    8.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    8.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7932    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    8.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3291    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9282    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9272    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  2 19  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3 20  1  0  0  0  0
  3 38  1  0  0  0  0
  3 39  1  0  0  0  0
  4 23  2  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  2  0  0  0  0
  6 11  1  0  0  0  0
  7 10  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 24  1  0  0  0  0
 10 16  1  0  0  0  0
 10 25  1  0  0  0  0
 11 17  2  0  0  0  0
 11 26  1  0  0  0  0
 12 18  2  0  0  0  0
 12 27  1  0  0  0  0
 13 21  2  0  0  0  0
 13 28  1  0  0  0  0
 14 22  2  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 20  2  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 18 20  1  0  0  0  0
 18 33  1  0  0  0  0
 21 23  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  1  0  0  0  0
 22 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11292

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHAAQAAAADAiBGAAwwIBAAACgAyRiQACCAAAgAgAIiAAQZJgIICKAkZGAIABgkAAIyAcQgMAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
4-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]aniline;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

> <PUBCHEM_IUPAC_NAME>
4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]amine;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17N3.ClH/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15;/h1-12,20H,21-22H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
JUQPZRLQQYSMEQ-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
323.1189253

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
323.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl

> <PUBCHEM_CACTVS_TPSA>
75.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.1189253

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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  16  8
11  17  8
12  18  8
15  19  8
16  20  8
17  19  8
18  20  8
6  11  8
6  9  8
7  10  8
7  12  8
9  15  8

$$$$