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

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[4-(methylthio)benzyl]piperidin-1-ium-4-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2OS/c1-17-3-5-18(6-4-17)15-23-22(25)20-11-13-24(14-12-20)16-19-7-9-21(26-2)10-8-19/h3-10,20H,11-16H2,1-2H3,(H,23,25)/p+1