15558347
  -OEChem-04252408272D

 34 34  0     0  0  0  0  0  0999 V2000
    3.5682    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8128    2.5548    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    4.0682    7.7642    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5381    7.7883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5984    7.7883    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    7.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    7.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2022    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9343    6.2642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    5.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    8.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3083    5.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282    5.7295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    7.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    7.2850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4022    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7343    6.2434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    5.1442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    8.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    8.4188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6882    8.7642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0682    9.3842    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4482    8.7642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    5.1095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8210    5.1095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8665    5.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2700    5.9313    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5405    8.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1365    7.4804    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    8.4083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
  3 13  1  0  0  0  0
  4 16  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5 17  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  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 10  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  1  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 17  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 13 24  1  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 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 28  1  0  0  0  0
 19 29  1  0  0  0  0
M  CHG  2   2  -1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
15558347

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
255

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAGAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHAAQAAAADAiBHgQywPNMEACgAyRiRACCgCAhAiAI2CA4ZJgIIOLA0dGEJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13N3.2ClH/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);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
OEGQPXPIKZELFM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
295.0643029

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15Cl2N3

> <PUBCHEM_MOLECULAR_WEIGHT>
296.2

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

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

> <PUBCHEM_CACTVS_TPSA>
55.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
295.0643029

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  16  8
12  17  8
14  18  8
15  19  8
16  18  8
17  19  8
3  6  8
3  7  8
6  11  8
6  8  8
7  12  8
7  9  8
8  10  8
8  14  8
9  10  8
9  15  8

$$$$