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

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-benzyl-N-homoveratryl-N-methyl-piperidin-1-ium-3-carboxamide Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H32N2O3/c1-25(15-13-19-11-12-22(28-2)23(16-19)29-3)24(27)21-10-7-14-26(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,21H,7,10,13-15,17-18H2,1-3H3/p+1/t21-/m0/s1