N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide

Systemtic Name: N-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-ethanamide Openeye Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-methylsulfanyl-acetamide CAS Name: N-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]-2-(methylthio)acetamide IUPAC Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-methylsulfanylacetamide Traditional Name: N-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]-2-(methylthio)acetamide Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CSC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)CSC

InChI

InChI=1S/C17H21N3OS/c1-20(12-14-7-4-3-5-8-14)17-15(9-6-10-18-17)11-19-16(21)13-22-2/h3-10H,11-13H2,1-2H3,(H,19,21)/p+1