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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-N-methyl-1-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C25H35N2O3+ MolecularWeight: 411.557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H34N2O3/c1-19-5-7-21(8-6-19)18-27-15-12-22(13-16-27)25(28)26(2)14-11-20-9-10-23(29-3)24(17-20)30-4/h5-10,17,22H,11-16,18H2,1-4H3/p+1