(3S)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-2,3-dihydroquinoline-3-carboxylate

Systemtic Name: (3S)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-4-ium-1-yl-2,3-dihydroquinoline-3-carboxylate Openeye Name: (3S)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-2,3-dihydroquinoline-3-carboxylate CAS Name: (3S)-1-cyclopropyl-6-fluoro-4-oxo-7-(1-piperazin-4-iumyl)-2,3-dihydroquinoline-3-carboxylate IUPAC Name: (3S)-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-4-ium-1-yl-2,3-dihydroquinoline-3-carboxylate Traditional Name: (3S)-1-cyclopropyl-6-fluoro-4-keto-7-piperazin-4-ium-1-yl-2,3-dihydroquinoline-3-carboxylate Formula: C17H20FN3O3 MolecularWeight: 333.357403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2CC(C(=O)C3=CC(=C(C=C32)N4CC[NH2+]CC4)F)C(=O)[O-]

Isomeric SMILES

C1CC1N2C[C@@H](C(=O)C3=CC(=C(C=C32)N4CC[NH2+]CC4)F)C(=O)[O-]

InChI

InChI=1S/C17H20FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-8,10,12,19H,1-6,9H2,(H,23,24)/t12-/m0/s1