1-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-fluorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H28FN2O2+ MolecularWeight: 419.511123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O2/c1-31-23-6-4-5-21(17-23)24-7-2-3-8-25(24)28-26(30)20-13-15-29(16-14-20)18-19-9-11-22(27)12-10-19/h2-12,17,20H,13-16,18H2,1H3,(H,28,30)/p+1