ethyl 1-[[7-fluoranyl-1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[7-fluoranyl-1-[(3-methoxyphenyl)methyl]-2-oxidanylidene-quinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxo-3-quinolyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxo-3-quinolinyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[7-fluoro-1-[(3-methoxyphenyl)methyl]-2-oxoquinolin-3-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(7-fluoro-2-keto-1-m-anisyl-3-quinolyl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C26H30FN2O4+ MolecularWeight: 453.525803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC(=CC=C4)OC

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC3=C(C=C(C=C3)F)N(C2=O)CC4=CC(=CC=C4)OC

InChI

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