(2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(4-methylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(4-methylphenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2S)-N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-2-[(4-methylphenyl)thio]propanamide IUPAC Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(4-methylphenyl)sulfanylpropanamide Traditional Name: (2S)-N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2-(p-tolylthio)propionamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCC2=C([NH+]=CC=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@@H](C)C(=O)NCC2=C([NH+]=CC=C2)N(C)C

InChI

InChI=1S/C18H23N3OS/c1-13-7-9-16(10-8-13)23-14(2)18(22)20-12-15-6-5-11-19-17(15)21(3)4/h5-11,14H,12H2,1-4H3,(H,20,22)/p+1/t14-/m0/s1