1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(5-chloro-2-hydroxy-benzyl)-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O2+ MolecularWeight: 373.89634

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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)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-15-2-4-16(5-3-15)13-23-21(26)17-8-10-24(11-9-17)14-18-12-19(22)6-7-20(18)25/h2-7,12,17,25H,8-11,13-14H2,1H3,(H,23,26)/p+1