(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-methylphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(p-tolyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C13H19N2S+ MolecularWeight: 235.36836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=S)N)[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C13H18N2S/c1-10-4-6-11(7-5-10)12(13(14)16)15-8-2-3-9-15/h4-7,12H,2-3,8-9H2,1H3,(H2,14,16)/p+1/t12-/m0/s1