1-cyclopropyl-6-fluoranyl-8-methoxy-7-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylammonio)-1-piperidyl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylammonio)-1-piperidinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-(methylazaniumyl)piperidin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methoxy-7-[(3S)-3-(methylammonio)piperidino]quinoline-3-carboxylate Formula: C20H24FN3O4 MolecularWeight: 389.420663

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F

Isomeric SMILES

C[NH2+][C@H]1CCCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)[O-])C4CC4)F

InChI

InChI=1S/C20H24FN3O4/c1-22-11-4-3-7-23(9-11)17-15(21)8-13-16(19(17)28-2)24(12-5-6-12)10-14(18(13)25)20(26)27/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)/t11-/m0/s1