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

Systemtic Name: (3R)-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3R)-N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(3,4-dimethoxyphenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-N-benzyl-N-methyl-1-veratryl-piperidin-1-ium-3-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O3/c1-24(15-18-8-5-4-6-9-18)23(26)20-10-7-13-25(17-20)16-19-11-12-21(27-2)22(14-19)28-3/h4-6,8-9,11-12,14,20H,7,10,13,15-17H2,1-3H3/p+1/t20-/m1/s1