N-[4-(3-methylphenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[[2-(methylthio)pyrimidin-5-yl]methyl]-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H29N4OS+ MolecularWeight: 433.58896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(N=C4)SC

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C25H28N4OS/c1-18-4-3-5-22(14-18)20-6-8-23(9-7-20)28-24(30)21-10-12-29(13-11-21)17-19-15-26-25(31-2)27-16-19/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,28,30)/p+1