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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-salicyl-piperidin-1-ium-4-carboxamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O)OC

InChI

InChI=1S/C23H30N2O4/c1-28-21-8-7-17(15-22(21)29-2)9-12-24-23(27)18-10-13-25(14-11-18)16-19-5-3-4-6-20(19)26/h3-8,15,18,26H,9-14,16H2,1-2H3,(H,24,27)/p+1