1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-sulfopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-sulfopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfo-1-piperazinyl)-3H-quinolin-1-ium-3-carboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-3H-quinolin-1-ium-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-sulfopiperazino)-3H-quinolin-1-ium-3-carboxylic acid Formula: C17H19FN3O6S+ MolecularWeight: 412.412663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[N+]2=CC(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)O)F)C(=O)O

Isomeric SMILES

C1CC1[N+]2=CC(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)O)F)C(=O)O

InChI

InChI=1S/C17H18FN3O6S/c18-13-7-11-14(21(10-1-2-10)9-12(16(11)22)17(23)24)8-15(13)19-3-5-20(6-4-19)28(25,26)27/h7-10,12H,1-6H2,(H-,23,24,25,26,27)/p+1