11294
  -OEChem-04232409162D

 51 52  0     0  0  0  0  0  0999 V2000
   10.0021    4.0785    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.5991    7.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    1.0369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.1350    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    4.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    2.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    3.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    2.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    5.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    0.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    5.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    2.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    4.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8059    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    7.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2191    8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    8.6569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9791    8.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1551    6.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    6.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7751    7.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9590    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5790    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    0.2269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    1.0739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.8469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3 11  2  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  5  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 18  2  0  0  0  0
  7 19  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 10 15  2  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 11 17  1  0  0  0  0
 12 16  2  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 26  2  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
11294

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
516

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHAAAAAAADAiBGAQywIMAAACgAyRiRACCAAAhAgAIiAAYZJgIICLAkZGEIAhggABIyAcQgMAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride

> <PUBCHEM_IUPAC_NAME>
[4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[4-[[4-(dimethylamino)phenyl]-phenyl-methylidene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-azanium;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-[[4-(dimethylamino)phenyl]-phenyl-methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H25N2.ClH/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;/h5-17H,1-4H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
FDZZZRQASAIRJF-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
364.1706265

> <PUBCHEM_MOLECULAR_FORMULA>
C23H25ClN2

> <PUBCHEM_MOLECULAR_WEIGHT>
364.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
6.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
364.1706265

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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  15  8
18  20  8
19  21  8
20  26  8
21  26  8
5  10  8
5  9  8
7  18  8
7  19  8
8  14  8
8  15  8
9  14  8

$$$$