6-fluoranyl-7-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-7-(1-methylpiperazin-1-ium-1-yl)-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(1-methyl-1-piperazin-1-iumyl)-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-7-(1-methylpiperazin-1-ium-1-yl)-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-7-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-quinoline-3-carboxylic acid Formula: C21H21FN3O3+ MolecularWeight: 382.408143

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

C[N+]1(CCNCC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H20FN3O3/c1-25(9-7-23-8-10-25)19-12-18-15(11-17(19)22)20(26)16(21(27)28)13-24(18)14-5-3-2-4-6-14/h2-6,11-13,23H,7-10H2,1H3/p+1