6842
  -OEChem-05032416242D

 32 33  0     0  0  0  0  0  0999 V2000
    3.8128    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0682    5.2094    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5381    5.2336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    5.2336    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    4.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    4.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    3.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    3.7094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    3.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    5.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    5.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    6.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    3.1747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    4.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    4.7302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    3.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    2.5894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    5.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    5.8640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    6.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    6.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    6.2094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    2.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    2.5548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    3.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    3.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    5.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    4.9256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    5.8535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4 16  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  9 19  1  0  0  0  0
 10 15  2  0  0  0  0
 10 20  1  0  0  0  0
 11 16  2  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 17  2  0  0  0  0
 13 25  1  0  0  0  0
 14 18  2  0  0  0  0
 14 26  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 27  1  0  0  0  0
 18 28  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
6842

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgQywPNMEACgAyRiRACCgCAhAiAI2CA4ZJgIIOLA0dGEJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-methylacridin-10-ium-3,6-diamine;chloride

> <PUBCHEM_IUPAC_CAS_NAME>
10-methylacridin-10-ium-3,6-diamine;chloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-methylacridin-10-ium-3,6-diamine;chloride

> <PUBCHEM_IUPAC_NAME>
10-methylacridin-10-ium-3,6-diamine;chloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methylacridin-10-ium-3,6-diamine;chloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(6-amino-10-methyl-acridin-10-ium-3-yl)amine;chloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;/h2-8H,1H3,(H3,15,16);1H

> <PUBCHEM_IUPAC_INCHIKEY>
KKAJSJJFBSOMGS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
259.0876252

> <PUBCHEM_MOLECULAR_FORMULA>
C14H14ClN3

> <PUBCHEM_MOLECULAR_WEIGHT>
259.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
55.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.0876252

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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
11  16  8
13  17  8
14  18  8
15  17  8
16  18  8
2  5  8
2  6  8
5  10  8
5  7  8
6  11  8
6  8  8
7  13  8
7  9  8
8  14  8
8  9  8

$$$$