1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-hydroxy-3,5-dimethoxy-benzyl)-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C23H30N2O4/c1-16-4-6-17(7-5-16)14-24-23(27)19-8-10-25(11-9-19)15-18-12-20(28-2)22(26)21(13-18)29-3/h4-7,12-13,19,26H,8-11,14-15H2,1-3H3,(H,24,27)/p+1