6,8-bis(fluoranyl)-7-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-7-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-7-(1-methylpiperazin-1-ium-1-yl)-4-oxo-1-phenyl-quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-7-(1-methyl-1-piperazin-1-iumyl)-4-oxo-1-phenyl-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-7-(1-methylpiperazin-1-ium-1-yl)-4-oxo-1-phenylquinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-7-(1-methylpiperazin-1-ium-1-yl)-1-phenyl-quinoline-3-carboxylic acid Formula: C21H20F2N3O3+ MolecularWeight: 400.398606

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

Isomeric SMILES

C[N+]1(CCNCC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4)F

InChI

InChI=1S/C21H19F2N3O3/c1-26(9-7-24-8-10-26)19-16(22)11-14-18(17(19)23)25(13-5-3-2-4-6-13)12-15(20(14)27)21(28)29/h2-6,11-12,24H,7-10H2,1H3/p+1