1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-16-6-8-17(9-7-16)14-23-22(26)18-10-12-24(13-11-18)15-19-4-3-5-20(27-2)21(19)25/h3-9,18,25H,10-15H2,1-2H3,(H,23,26)/p+1