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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(3-pyridinylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(pyridin-3-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-N-methyl-1-(3-pyridylmethyl)piperidin-1-ium-4-carboxamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-25(12-8-18-6-7-21(28-2)22(15-18)29-3)23(27)20-9-13-26(14-10-20)17-19-5-4-11-24-16-19/h4-7,11,15-16,20H,8-10,12-14,17H2,1-3H3/p+1