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

Systemtic Name: 1-[(3-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-chlorobenzyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C26H28ClN2O2+ MolecularWeight: 435.96572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27ClN2O2/c1-31-23-9-5-7-21(17-23)24-10-2-3-11-25(24)28-26(30)20-12-14-29(15-13-20)18-19-6-4-8-22(27)16-19/h2-11,16-17,20H,12-15,18H2,1H3,(H,28,30)/p+1