N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-ethyl-2-methylsulfanyl-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]acetamide CAS Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]-4-piperidin-1-iumyl]methyl]-2-(methylthio)acetamide IUPAC Name: N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-4-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-ethyl-2-(methylthio)-N-[[1-[2-(o-tolyl)ethyl]piperidin-1-ium-4-yl]methyl]acetamide Formula: C20H33N2OS+ MolecularWeight: 349.55382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CSC

Isomeric SMILES

CCN(CC1CC[NH+](CC1)CCC2=CC=CC=C2C)C(=O)CSC

InChI

InChI=1S/C20H32N2OS/c1-4-22(20(23)16-24-3)15-18-9-12-21(13-10-18)14-11-19-8-6-5-7-17(19)2/h5-8,18H,4,9-16H2,1-3H3/p+1