1-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-(2-methoxy-5-methyl-phenyl)piperidin-1-ium-4-carboxamide Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2O2/c1-15-3-8-20(26-2)19(13-15)23-21(25)17-9-11-24(12-10-17)14-16-4-6-18(22)7-5-16/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,25)/p+1