1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-isopentyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-N-(3-methylbutyl)piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-veratryl-piperidin-1-ium-4-carboxamide Formula: C20H33N2O3+ MolecularWeight: 349.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC(C)CCNC(=O)C1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C20H32N2O3/c1-15(2)7-10-21-20(23)17-8-11-22(12-9-17)14-16-5-6-18(24-3)19(13-16)25-4/h5-6,13,15,17H,7-12,14H2,1-4H3,(H,21,23)/p+1