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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-homoveratryl-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C24H32N2O3/c1-18-5-4-6-20(15-18)17-26-13-10-21(11-14-26)24(27)25-12-9-19-7-8-22(28-2)23(16-19)29-3/h4-8,15-16,21H,9-14,17H2,1-3H3,(H,25,27)/p+1