1-cyclopropyl-6-fluoranyl-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-8-oxidanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-8-oxidanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-8-hydroxy-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-hydroxy-7-[(3S)-3-methyl-1-piperazin-4-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-8-hydroxy-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-8-hydroxy-4-keto-7-[(3S)-3-methylpiperazin-4-ium-1-yl]quinoline-3-carboxylate Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)[O-])C4CC4)F

Isomeric SMILES

C[C@H]1CN(CC[NH2+]1)C2=C(C=C3C(=C2O)N(C=C(C3=O)C(=O)[O-])C4CC4)F

InChI

InChI=1S/C18H20FN3O4/c1-9-7-21(5-4-20-9)15-13(19)6-11-14(17(15)24)22(10-2-3-10)8-12(16(11)23)18(25)26/h6,8-10,20,24H,2-5,7H2,1H3,(H,25,26)/t9-/m0/s1