1-[(3-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-hydroxyphenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-hydroxybenzyl)-N-(4-methylbenzyl)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=C3)O

Isomeric SMILES

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

InChI

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