24761053
  -OEChem-05042419382D

 40 41  0     0  0  0  0  0  0999 V2000
    4.9338    0.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.3319    5.9541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    0.3660    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.7998    1.3660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4338    1.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4338    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.4200    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.2018    4.4200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7319    6.4441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    5.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    4.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    4.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    6.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    5.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    4.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    7.4200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    4.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.4546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    4.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5998    5.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    5.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    4.8992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4639    6.4508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    7.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    3.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8218    7.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.0400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5818    7.4200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    4.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    7.0746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7295    7.0641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    3.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    5.4710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0002    5.4741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.5871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8606    6.9273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636    6.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8676    6.2662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2 24  1  0  0  0  0
  2 40  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  7 17  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 15  1  0  0  0  0
  9 21  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  2  0  0  0  0
 12 16  1  0  0  0  0
 13 20  2  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 18  1  0  0  0  0
 16 18  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 22  1  0  0  0  0
 19 31  1  0  0  0  0
 20 23  1  0  0  0  0
 20 33  1  0  0  0  0
 21 24  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 23  2  0  0  0  0
 22 36  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
M  CHG  2   3  -1   7   1
M  END
> <PUBCHEM_COMPOUND_CID>
24761053

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
395

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzOAAEAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACx/AAAHgAQCAAACAjhlgYywLPMEgCgASRiRACCgCQhEiAI2KA4dJgKcOLA0dGUJAhgkADYyAcQAAAAAACAAAQAACAAAQAACAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[(10-methylphenazin-10-ium-2-yl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_CAS_NAME>
2-[(10-methyl-2-phenazin-10-iumyl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[(10-methylphenazin-10-ium-2-yl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_NAME>
2-[(10-methylphenazin-10-ium-2-yl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[(10-methylphenazin-10-ium-2-yl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[(10-methylphenazin-10-ium-2-yl)amino]ethanol;perchlorate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H15N3O.ClHO4/c1-18-14-5-3-2-4-12(14)17-13-7-6-11(10-15(13)18)16-8-9-19;2-1(3,4)5/h2-7,10,19H,8-9H2,1H3;(H,2,3,4,5)

> <PUBCHEM_IUPAC_INCHIKEY>
KCNZELNVICFCHO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
353.0778483

> <PUBCHEM_MOLECULAR_FORMULA>
C15H16ClN3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
353.76

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)NCCO.[O-]Cl(=O)(=O)=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[N+]1=C2C=C(C=CC2=NC3=CC=CC=C31)NCCO.[O-]Cl(=O)(=O)=O

> <PUBCHEM_CACTVS_TPSA>
123

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
353.0778483

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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  12  8
10  14  8
11  13  8
11  19  8
12  16  8
13  20  8
14  15  8
15  18  8
16  18  8
19  22  8
20  23  8
22  23  8
7  10  8
7  11  8
8  12  8
8  13  8

$$$$