2-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethyl-dimethyl-azanium dichloride

Systemtic Name: 2-[[1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethyl-dimethyl-azanium dichloride Openeye Name: 2-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carbonyl]amino]ethyl-dimethyl-ammonium dichloride CAS Name: 2-[[[1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinyl]-oxomethyl]amino]ethyl-dimethylammonium dichloride IUPAC Name: 2-[[1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carbonyl]amino]ethyl-dimethylazanium dichloride Traditional Name: 2-[[1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carbonyl]amino]ethyl-dimethyl-ammonium dichloride Formula: C21H32Cl2FN5O2 MolecularWeight: 476.415483

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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)NCC[NH+](C)C.[Cl-].[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN5O2.2ClH/c1-5-26-14-16(21(29)23-6-7-24(2)3)20(28)15-12-17(22)19(13-18(15)26)27-10-8-25(4)9-11-27;;/h12-14H,5-11H2,1-4H3,(H,23,29);2*1H