54741683
  -OEChem-04232402462D

 61 61  0     0  0  0  0  0  0999 V2000
    6.0540    0.0000    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    6.0540    2.5168    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
    5.8783    9.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    9.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8783    6.6777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    8.7019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6161    6.6536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084    8.1777    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.2084    6.4457    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.7443    8.1777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    6.6777    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2084    8.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7084    7.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7084    7.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084    6.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3424    8.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0745    5.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4764    8.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104    8.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8783    8.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0123    8.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    8.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802    8.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0123    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2802    7.1777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    8.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    6.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    8.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4802    7.1569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    9.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6200    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2084    9.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2084    5.8257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7911    8.3898    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1008    8.7883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2335    7.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2335    6.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1834    6.9132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1834    7.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6258    6.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3161    5.8351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7410    9.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439    9.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7645    5.4087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6114    5.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3845    6.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0779    7.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8749    7.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0089    9.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2118    9.1527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7443    7.5577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1463    6.0577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    9.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3935    6.0231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093    9.9877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    9.6995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224   10.3218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6224    5.0336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2400    5.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 20  2  0  0  0  0
  4 22  1  0  0  0  0
  4 55  1  0  0  0  0
  5 24  2  0  0  0  0
  6 28  1  0  0  0  0
  6 30  1  0  0  0  0
  7 29  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 16  1  0  0  0  0
  8 32  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 17  1  0  0  0  0
  9 33  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 51  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 52  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 18  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 24  1  0  0  0  0
 22 23  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  2  0  0  0  0
 26 28  1  0  0  0  0
 26 53  1  0  0  0  0
 27 29  1  0  0  0  0
 27 54  1  0  0  0  0
 28 29  2  0  0  0  0
 30 56  1  0  0  0  0
 30 57  1  0  0  0  0
 30 58  1  0  0  0  0
 31 59  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
M  CHG  4   1  -1   2  -1   8   1   9   1
M  END
> <PUBCHEM_COMPOUND_CID>
54741683

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
632

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
5

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAGAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBAAAAHgAQCAAADAzBmAYyxoPABgCIAiVSUACCCAAhIgAAiIEO7MgNZirM8JuUcCpm1hnK+Qfw8D8OIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-hydroxy-6,7-dimethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_CAS_NAME>
4-hydroxy-6,7-dimethoxy-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-oxo-1H-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-hydroxy-6,7-dimethoxy-<I>N</I>-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-1<I>H</I>-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_NAME>
4-hydroxy-6,7-dimethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-oxo-1H-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6,7-dimethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-hydroxy-2-keto-6,7-dimethoxy-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-1H-quinoline-3-carboxamide;dichloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H28N4O5.2ClH/c1-23-7-9-24(10-8-23)6-4-5-21-19(26)17-18(25)13-11-15(28-2)16(29-3)12-14(13)22-20(17)27;;/h11-12H,4-10H2,1-3H3,(H,21,26)(H2,22,25,27);2*1H

> <PUBCHEM_IUPAC_INCHIKEY>
CZZOYADVQBYVJU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
476.1593255

> <PUBCHEM_MOLECULAR_FORMULA>
C20H30Cl2N4O5

> <PUBCHEM_MOLECULAR_WEIGHT>
477.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=C(C3=CC(=C(C=C3NC2=O)OC)OC)O.[Cl-].[Cl-]

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[NH+]1CC[NH+](CC1)CCCNC(=O)C2=C(C3=CC(=C(C=C3NC2=O)OC)OC)O.[Cl-].[Cl-]

> <PUBCHEM_CACTVS_TPSA>
106

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
476.1593255

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  24  8
11  25  8
21  22  8
21  24  8
22  23  8
23  25  8
23  26  8
25  27  8
26  28  8
27  29  8
28  29  8

$$$$