3-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]propyl-dimethyl-azanium dichloride

Systemtic Name: 3-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]propyl-dimethyl-azanium dichloride Openeye Name: 3-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carbonyl]amino]propyl-dimethyl-ammonium dichloride CAS Name: 3-[[[1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinyl]-oxomethyl]amino]propyl-dimethylammonium dichloride IUPAC Name: 3-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carbonyl]amino]propyl-dimethylazanium dichloride Traditional Name: 3-[[1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonyl]amino]propyl-dimethyl-ammonium dichloride Formula: C22H34Cl2FN5O2 MolecularWeight: 490.442063

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCCC[NH+](C)C.[Cl-].[Cl-]

InChI

InChI=1S/C22H32FN5O2.2ClH/c1-5-27-15-17(22(30)24-7-6-8-25(2)3)21(29)16-13-18(23)20(14-19(16)27)28-11-9-26(4)10-12-28;;/h13-15H,5-12H2,1-4H3,(H,24,30);2*1H