443101
  -OEChem-05142404482D

 59 62  0     0  0  0  0  0  0999 V2000
    0.0000    4.5588    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.6245    2.6546    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   10.1546    2.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    2.6788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    8.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0944    8.9984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1546    8.9984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    2.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    1.1546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    0.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    2.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    3.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    0.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    2.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    1.1338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7585    8.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4905    8.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    6.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    6.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    6.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8645    9.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3845    9.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    8.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    8.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9585    7.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2906    7.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    0.0346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    3.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    3.3092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2445    3.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    4.2746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0045    3.6546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8263    0.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    0.8217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6245    6.3543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6928    2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1522    3.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563    2.3708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968    3.2988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    6.3196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    6.3196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8717    9.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3773    9.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4227    7.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8263    7.1414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5563    8.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0968    9.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6928    8.6905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1522    9.6184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  8  2  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3 18  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4 19  1  0  0  0  0
  4 48  1  0  0  0  0
  4 49  1  0  0  0  0
  5 24  2  0  0  0  0
  5 25  1  0  0  0  0
  6 31  1  0  0  0  0
  6 56  1  0  0  0  0
  6 57  1  0  0  0  0
  7 32  1  0  0  0  0
  7 58  1  0  0  0  0
  7 59  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 35  1  0  0  0  0
 13 18  2  0  0  0  0
 13 36  1  0  0  0  0
 14 19  2  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 20  2  0  0  0  0
 16 41  1  0  0  0  0
 17 21  2  0  0  0  0
 17 42  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  1  0  0  0  0
 22 26  2  0  0  0  0
 22 27  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  1  0  0  0  0
 25 30  1  0  0  0  0
 26 45  1  0  0  0  0
 27 33  2  0  0  0  0
 27 50  1  0  0  0  0
 28 34  2  0  0  0  0
 28 51  1  0  0  0  0
 29 31  2  0  0  0  0
 29 52  1  0  0  0  0
 30 32  2  0  0  0  0
 30 53  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_CID>
443101

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
486

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7gAAEAAAAAAAAAAAAAAAAAAAAAAA8eMGCAAAAAACx/gAAHAAQAAAADAiBHgQywPNMEACgAyRiRACCgCAhAiAI2CA4ZJgIIOLA0dGEJAhgkADIyAcQgMAOCAAAAAQCAAAQAAAACAQAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H13N3.C13H11N3.ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;1H

> <PUBCHEM_IUPAC_INCHIKEY>
PEJLNXHANOHNSU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
468.1829225

> <PUBCHEM_MOLECULAR_FORMULA>
C27H25ClN6

> <PUBCHEM_MOLECULAR_WEIGHT>
469.0

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]

> <PUBCHEM_CACTVS_TPSA>
121

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.1829225

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  12  8
10  16  8
11  12  8
11  17  8
13  18  8
14  19  8
16  20  8
17  21  8
18  20  8
19  21  8
2  8  8
2  9  8
22  24  8
22  26  8
22  27  8
23  25  8
23  26  8
23  28  8
24  29  8
25  30  8
27  33  8
28  34  8
29  31  8
30  32  8
31  33  8
32  34  8
5  24  8
5  25  8
8  10  8
8  13  8
9  11  8
9  14  8

$$$$