1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxyphenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-salicyl-piperidin-1-ium-4-carboxamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC=CC=C3O

InChI

InChI=1S/C21H26N2O2/c1-16-6-8-17(9-7-16)14-22-21(25)18-10-12-23(13-11-18)15-19-4-2-3-5-20(19)24/h2-9,18,24H,10-15H2,1H3,(H,22,25)/p+1