7-[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 7-[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 7-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 7-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylate IUPAC Name: 7-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylate Traditional Name: 7-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C24H21ClFN3O4 MolecularWeight: 469.892643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)[NH+]4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)[O-]

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)[NH+]4CCN(CC4)C(=O)C5=CC(=CC=C5)Cl)F)C(=O)[O-]

InChI

InChI=1S/C24H21ClFN3O4/c25-15-3-1-2-14(10-15)23(31)28-8-6-27(7-9-28)21-12-20-17(11-19(21)26)22(30)18(24(32)33)13-29(20)16-4-5-16/h1-3,10-13,16H,4-9H2,(H,32,33)