(2S)-2-(2,3-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(2,3-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(2,3-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(2,3-dimethoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(2,3-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(2,3-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C(=S)N)[NH+]2CCCC2

Isomeric SMILES

COC1=CC=CC(=C1OC)[C@@H](C(=S)N)[NH+]2CCCC2

InChI

InChI=1S/C14H20N2O2S/c1-17-11-7-5-6-10(13(11)18-2)12(14(15)19)16-8-3-4-9-16/h5-7,12H,3-4,8-9H2,1-2H3,(H2,15,19)/p+1/t12-/m0/s1