N-(3-methylbutyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(3-methylbutyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-isopentyl-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(3-methylbutyl)-1-[(3,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(3-methylbutyl)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-isoamyl-1-(3,4,5-trimethoxybenzyl)piperidin-1-ium-4-carboxamide Formula: C21H35N2O4+ MolecularWeight: 379.5136

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-15(2)6-9-22-21(24)17-7-10-23(11-8-17)14-16-12-18(25-3)20(27-5)19(13-16)26-4/h12-13,15,17H,6-11,14H2,1-5H3,(H,22,24)/p+1