N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-benzamide

Systemtic Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-benzamide Openeye Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanyl-benzamide CAS Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-4-(methylthio)benzamide IUPAC Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-methylsulfanylbenzamide Traditional Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-4-(methylthio)benzamide Formula: C23H30ClN2OS+ MolecularWeight: 418.0151

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H29ClN2OS/c1-25(23(27)20-5-9-22(28-2)10-6-20)17-19-12-15-26(16-13-19)14-11-18-3-7-21(24)8-4-18/h3-10,19H,11-17H2,1-2H3/p+1