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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethylphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethylphenyl)methyl]-N-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethylphenyl)methyl]-N-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-ethylphenyl)methyl]-N-methylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(4-ethylbenzyl)-N-homoveratryl-N-methyl-piperidin-1-ium-4-carboxamide Formula: C26H37N2O3+ MolecularWeight: 425.58358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H36N2O3/c1-5-20-6-8-22(9-7-20)19-28-16-13-23(14-17-28)26(29)27(2)15-12-21-10-11-24(30-3)25(18-21)31-4/h6-11,18,23H,5,12-17,19H2,1-4H3/p+1