N'-(2-methylsulfanylphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2-methylsulfanylphenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide CAS Name: N'-[2-(methylthio)phenyl]-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-[2-(methylthio)phenyl]oxamide Formula: C22H28N3O2S+ MolecularWeight: 398.54162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C(=O)NCC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-28-20-10-6-5-9-19(20)24-22(27)21(26)23-15-17-11-13-25(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,23,26)(H,24,27)/p+1