(2S)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C14H21N2O2S+ MolecularWeight: 281.39374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=S)N)[NH+]2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C(=S)N)[NH+]2CCCC2)OC

InChI

InChI=1S/C14H20N2O2S/c1-17-11-6-5-10(9-12(11)18-2)13(14(15)19)16-7-3-4-8-16/h5-6,9,13H,3-4,7-8H2,1-2H3,(H2,15,19)/p+1/t13-/m0/s1