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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-methyl-1-piperazin-4-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3R)-3-methylpiperazin-4-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[(3R)-3-methylpiperazin-4-ium-1-yl]quinoline-3-carboxylate Formula: C19H22FN3O4 MolecularWeight: 375.394083

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH2+]1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F

Isomeric SMILES

C[C@@H]1CN(CC[NH2+]1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F

InChI

InChI=1S/C19H22FN3O4/c1-10-8-22(6-5-21-10)16-14(20)7-12-15(18(16)27-2)23(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,21H,3-6,8H2,1-2H3,(H,25,26)/t10-/m1/s1