7-[4-(4-aminophenyl)sulfonylpiperazin-1-ium-1-ylidene]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-4aH-quinoline-3-carboxylic acid

Systemtic Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-ium-1-ylidene]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-4aH-quinoline-3-carboxylic acid Openeye Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-ium-1-ylidene]-1-cyclopropyl-6-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid CAS Name: 7-[4-(4-aminophenyl)sulfonyl-1-piperazin-1-iumylidene]-1-cyclopropyl-6-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid IUPAC Name: 7-[4-(4-aminophenyl)sulfonylpiperazin-1-ium-1-ylidene]-1-cyclopropyl-6-fluoro-4-oxo-4aH-quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-sulfanilylpiperazin-1-ium-1-ylidene)-4aH-quinoline-3-carboxylic acid Formula: C23H24FN4O5S+ MolecularWeight: 487.523863

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3C2=CC(=[N+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)C(=C3)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3C2=CC(=[N+]4CCN(CC4)S(=O)(=O)C5=CC=C(C=C5)N)C(=C3)F)C(=O)O

InChI

InChI=1S/C23H23FN4O5S/c24-19-11-17-20(28(15-3-4-15)13-18(22(17)29)23(30)31)12-21(19)26-7-9-27(10-8-26)34(32,33)16-5-1-14(25)2-6-16/h1-2,5-6,11-13,15,17H,3-4,7-10,25H2/p+1