1-[(2,5-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2,5-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2,5-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2,5-dimethoxyphenyl)methyl]-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-(2,5-dimethoxybenzyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O4+ MolecularWeight: 413.52982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCC(CC2)C(=O)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O4/c1-29-22-8-9-23(30-2)21(16-22)18-25-12-10-20(11-13-25)24(28)26(14-15-27)17-19-6-4-3-5-7-19/h3-9,16,20,27H,10-15,17-18H2,1-2H3/p+1