1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid sulfate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid sulfate Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid sulfate CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid sulfate IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid sulfate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid sulfate Formula: C17H18FN3O7S-2 MolecularWeight: 427.404123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C17H18FN3O3.H2O4S/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;1-5(2,3)4/h7-10,19H,1-6H2,(H,23,24);(H2,1,2,3,4)/p-2