ethyl (3S)-1-[[1-[(2-fluorophenyl)methyl]-7-methoxy-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[1-[(2-fluorophenyl)methyl]-7-methoxy-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-[(2-fluorophenyl)methyl]-7-methoxy-2-oxo-3-quinolyl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-[(2-fluorophenyl)methyl]-7-methoxy-2-oxo-3-quinolinyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-[(2-fluorophenyl)methyl]-7-methoxy-2-oxoquinolin-3-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(2-fluorobenzyl)-2-keto-7-methoxy-3-quinolyl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C26H30FN2O4+ MolecularWeight: 453.525803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C(C=C3)OC)N(C2=O)CC4=CC=CC=C4F

InChI

InChI=1S/C26H29FN2O4/c1-3-33-26(31)20-8-6-12-28(15-20)16-21-13-18-10-11-22(32-2)14-24(18)29(25(21)30)17-19-7-4-5-9-23(19)27/h4-5,7,9-11,13-14,20H,3,6,8,12,15-17H2,1-2H3/p+1/t20-/m0/s1