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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(1-naphthalenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-(1-naphthylmethyl)piperidin-1-ium-4-carboxamide Formula: C27H33N2O3+ MolecularWeight: 433.56252

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=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C27H32N2O3/c1-31-25-11-10-20(18-26(25)32-2)12-15-28-27(30)22-13-16-29(17-14-22)19-23-8-5-7-21-6-3-4-9-24(21)23/h3-11,18,22H,12-17,19H2,1-2H3,(H,28,30)/p+1