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

Systemtic Name: (2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(4-ethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C14H21N2S+ MolecularWeight: 249.39494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(=S)N)[NH+]2CCCC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C14H20N2S/c1-2-11-5-7-12(8-6-11)13(14(15)17)16-9-3-4-10-16/h5-8,13H,2-4,9-10H2,1H3,(H2,15,17)/p+1/t13-/m0/s1