N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide Traditional Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-N-veratryl-acetamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCC(=CC2)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H26N2O3/c1-26-20-9-8-17(14-21(20)27-2)15-23-22(25)16-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14H,11-13,15-16H2,1-2H3,(H,23,25)/p+1