404407
  -OEChem-05122420532D

 53 57  0     0  0  0  0  0  0999 V2000
    5.3194   -2.5282    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0098   -3.4728    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.8586    3.4738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7077   -2.5268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0157   -3.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5104   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6981   -2.2968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -4.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3208   -4.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1284   -1.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8194   -0.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5962   -4.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1439   -2.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2316   -0.1803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5044   -0.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8468   -1.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5249   -0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    0.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0506    1.5422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6329    0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4573    2.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0396    1.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4519    2.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708    4.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8531    3.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9372   -1.7248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1754   -1.9633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1096   -4.8300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -4.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -2.5713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -3.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072   -4.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3029   -4.6658    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0940   -4.6464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9597   -4.7851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0984   -3.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3286   -2.7645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -0.2451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3060    0.3828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4527   -1.5352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9380    0.0490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4340    1.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9973    0.3361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0929    2.9574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6562    1.8161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7724    4.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9064    4.7844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7692    3.9184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9179    2.9618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4697    3.6432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7883    4.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  2  0  0  0  0
  2 14  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  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  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  3  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 17  2  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 18  1  0  0  0  0
 15 39  1  0  0  0  0
 16 20  1  0  0  0  0
 16 40  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 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
M  CHG  1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
404407

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
562

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAWLAAAAwYMAAAAAWAFgB0AAAHAAIAAAADAiBHgQywJMIAACiAyRiRACSBCAhggAY2CA4ZJgIIGLA0dGEpAhgiADIyAcQgMAOCAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N,N-dimethyl-4-[(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline

> <PUBCHEM_IUPAC_CAS_NAME>
N,N-dimethyl-4-[(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>,<I>N</I>-dimethyl-4-[(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline

> <PUBCHEM_IUPAC_NAME>
N,N-dimethyl-4-[(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N,N-dimethyl-4-[(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
dimethyl-[4-[(6-methyl-7,8,9,10-tetrahydroindol[1,2-b]indazol-6-ium-11-ylidene)methyl]phenyl]amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H26N3/c1-25(2)18-14-12-17(13-15-18)16-21-19-8-4-7-11-23(19)27-24(21)20-9-5-6-10-22(20)26(27)3/h4,7-8,11-16H,5-6,9-10H2,1-3H3/q+1

> <PUBCHEM_IUPAC_INCHIKEY>
OZJIIJJBIWSVOR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
356.212672842

> <PUBCHEM_MOLECULAR_FORMULA>
C24H26N3+

> <PUBCHEM_MOLECULAR_WEIGHT>
356.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=C2CCCCC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=C2CCCCC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C

> <PUBCHEM_CACTVS_TPSA>
12

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
356.212672842

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  12  8
1  2  8
1  6  8
11  13  8
11  16  1
12  13  8
12  15  8
13  17  8
15  18  8
17  19  8
18  19  8
2  5  8
20  21  8
20  22  8
21  23  8
22  24  8
23  25  8
24  25  8
4  5  8
4  6  8
6  11  8

$$$$