2723800
  -OEChem-04232415002D

 44 46  0     0  0  0  0  0  0999 V2000
    3.8144    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0682    5.1932    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.0682    3.1932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    5.2173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    5.2173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    4.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    3.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    3.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    6.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    3.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    3.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    3.6724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    4.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    4.7140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    6.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    6.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5381    3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    3.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    7.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    7.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    8.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    5.8478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    5.8478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    2.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    2.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    6.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712    6.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2261    3.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    2.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8502    2.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863    2.6333    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1341    2.8570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104    3.7048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6653    8.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4712    8.0032    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    5.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    4.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    5.8373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    8.8132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 17  1  0  0  0  0
  4 40  1  0  0  0  0
  4 41  1  0  0  0  0
  5 18  1  0  0  0  0
  5 42  1  0  0  0  0
  5 43  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 19  2  0  0  0  0
 10 20  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 15  2  0  0  0  0
 13 28  1  0  0  0  0
 14 16  2  0  0  0  0
 14 29  1  0  0  0  0
 15 17  1  0  0  0  0
 15 21  1  0  0  0  0
 16 18  1  0  0  0  0
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 30  1  0  0  0  0
 20 24  2  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 21 33  1  0  0  0  0
 21 34  1  0  0  0  0
 22 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 23 25  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 25 44  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
2723800

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
405

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAEAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx/AAAHAAQAAAADAiBHgAywLNMEACgAyRiRACCgCQhEiAImCAwdJgIYOLA0dGUJAhgkADIyAcQgAAOCACAQAQCACAQAQCACAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,7-dimethyl-10-phenyl-phenazin-10-ium-2,8-diamine;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride

> <PUBCHEM_IUPAC_NAME>
3,7-dimethyl-10-phenylphenazin-10-ium-2,8-diamine;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,7-dimethyl-10-phenyl-phenazin-10-ium-2,8-diamine;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8-amino-3,7-dimethyl-10-phenyl-phenazin-10-ium-2-yl)amine;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18N4.ClH/c1-12-8-17-19(10-15(12)21)24(14-6-4-3-5-7-14)20-11-16(22)13(2)9-18(20)23-17;/h3-11H,1-2H3,(H3,21,22);1H

> <PUBCHEM_IUPAC_INCHIKEY>
OARRHUQTFTUEOS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
350.1298243

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19ClN4

> <PUBCHEM_MOLECULAR_WEIGHT>
350.8

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
68.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
350.1298243

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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
10  20  8
11  17  8
12  18  8
13  15  8
14  16  8
15  17  8
16  18  8
19  23  8
2  6  8
2  7  8
20  24  8
23  25  8
24  25  8
3  8  8
3  9  8
6  11  8
6  8  8
7  12  8
7  9  8
8  13  8
9  14  8

$$$$