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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-ethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-ethoxyphenyl)methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-ethoxyphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(2-ethoxybenzyl)-N-homoveratryl-N-methyl-piperidin-1-ium-4-carboxamide Formula: C26H37N2O4+ MolecularWeight: 441.58298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H36N2O4/c1-5-32-23-9-7-6-8-22(23)19-28-16-13-21(14-17-28)26(29)27(2)15-12-20-10-11-24(30-3)25(18-20)31-4/h6-11,18,21H,5,12-17,19H2,1-4H3/p+1