1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-oxidanidyl-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-oxidanidyl-4-oxidanylidene-quinolin-1-ium-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-1-oxido-4-oxo-quinolin-1-ium-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-1-oxido-4-oxo-3-quinolin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-1-oxido-4-oxoquinolin-1-ium-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)-1-oxido-quinolin-1-ium-3-carboxylic acid Formula: C17H20FN3O4 MolecularWeight: 349.356803

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O)[O-]

Isomeric SMILES

CC[N+]1(C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O)[O-]

InChI

InChI=1S/C17H20FN3O4/c1-3-21(25)10-12(17(23)24)16(22)11-8-13(18)14(9-15(11)21)20-6-4-19(2)5-7-20/h8-10H,3-7H2,1-2H3,(H,23,24)