1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-chlorophenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(4-chlorobenzyl)-N-homoveratryl-N-methyl-piperidin-1-ium-4-carboxamide Formula: C24H32ClN2O3+ MolecularWeight: 431.97548

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN2O3/c1-26(13-10-18-6-9-22(29-2)23(16-18)30-3)24(28)20-11-14-27(15-12-20)17-19-4-7-21(25)8-5-19/h4-9,16,20H,10-15,17H2,1-3H3/p+1