(3S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2,6-dimethylphenyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3,4-dimethoxyphenyl)methyl]-N-(2,6-dimethylphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2,6-dimethylphenyl)-1-veratryl-piperidin-1-ium-3-carboxamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-16-7-5-8-17(2)22(16)24-23(26)19-9-6-12-25(15-19)14-18-10-11-20(27-3)21(13-18)28-4/h5,7-8,10-11,13,19H,6,9,12,14-15H2,1-4H3,(H,24,26)/p+1/t19-/m0/s1