1-cyclopropyl-6-fluoranyl-5-methyl-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-5-methyl-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methyl-1-piperazin-4-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-[(3R)-3-methylpiperazin-4-ium-1-yl]quinoline-3-carboxylate Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O3/c1-10-8-22(6-5-21-10)15-7-14-16(11(2)17(15)20)18(24)13(19(25)26)9-23(14)12-3-4-12/h7,9-10,12,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m1/s1