6-fluoranyl-1-(4-fluorophenyl)-7-(4-methyl-4-oxidanyl-piperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-7-(4-methyl-4-oxidanyl-piperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-hydroxy-4-methyl-piperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-hydroxy-4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-hydroxy-4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-hydroxy-4-methyl-piperazin-4-ium-1-yl)-4-keto-quinoline-3-carboxylic acid Formula: C21H20F2N3O4+ MolecularWeight: 416.398006

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)O

Isomeric SMILES

C[N+]1(CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)O

InChI

InChI=1S/C21H19F2N3O4/c1-26(30)8-6-24(7-9-26)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-25(18)14-4-2-13(22)3-5-14/h2-5,10-12,30H,6-9H2,1H3/p+1