11057
  -OEChem-05052418082D

 59 60  0     0  0  0  0  0  0999 V2000
    4.6171    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    1.4030    9.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312    9.5369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    3.5369    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.8671    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    6.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    7.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    6.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8671    4.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    9.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2690    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4651    8.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   10.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    9.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   10.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0010    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    3.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5380    9.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    9.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350    6.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    6.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    6.3469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1350   10.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991   10.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    7.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0021    7.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    4.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0230   10.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030   11.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7830   10.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269    9.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8469    8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8872    8.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7341    8.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5072    9.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9512   10.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3312   11.1569    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7112   10.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6910    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3110    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4231    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2700    2.7269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0431    3.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 15  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4 17  2  0  0  0  0
  4 28  1  0  0  0  0
  4 29  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 18  1  0  0  0  0
  9 30  1  0  0  0  0
 10 19  1  0  0  0  0
 10 31  1  0  0  0  0
 11 20  2  0  0  0  0
 11 32  1  0  0  0  0
 12 21  2  0  0  0  0
 12 33  1  0  0  0  0
 13 22  2  0  0  0  0
 13 34  1  0  0  0  0
 14 23  2  0  0  0  0
 14 35  1  0  0  0  0
 15 18  2  0  0  0  0
 15 20  1  0  0  0  0
 16 19  2  0  0  0  0
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 23  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
M  CHG  2   1  -1   4   1
M  END
> <PUBCHEM_COMPOUND_CID>
11057

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
542

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAEAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAAABQAAAHAAAAAAADAiBGAQywIMAAACgAyRiRACCAAAhAgAIiAAYZJgIICLAkZGEIAhggABIyAcQgMAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H30N3.ClH/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6;/h7-18H,1-6H3;1H/q+1;/p-1

> <PUBCHEM_IUPAC_INCHIKEY>
ZXJXZNDDNMQXFV-UHFFFAOYSA-M

> <PUBCHEM_EXACT_MASS>
407.2128257

> <PUBCHEM_MOLECULAR_FORMULA>
C25H30ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
408.0

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

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

> <PUBCHEM_CACTVS_TPSA>
9.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.2128257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <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  19  8
11  20  8
12  21  8
15  18  8
15  20  8
16  19  8
16  21  8
6  11  8
6  9  8
7  10  8
7  12  8
9  18  8

$$$$