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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-benzyloxyphenyl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-benzoxybenzyl)-N-homoveratryl-N-methyl-piperidin-1-ium-4-carboxamide Formula: C31H39N2O4+ MolecularWeight: 503.65236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C31H38N2O4/c1-32(17-14-24-12-13-29(35-2)30(21-24)36-3)31(34)27-15-18-33(19-16-27)22-26-10-7-11-28(20-26)37-23-25-8-5-4-6-9-25/h4-13,20-21,27H,14-19,22-23H2,1-3H3/p+1