(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-thioacetamide CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethanethioamide IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethanethioamide Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-thioacetamide Formula: C13H17N2O2S+ MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C13H16N2O2S/c14-13(18)12(15-5-1-2-6-15)9-3-4-10-11(7-9)17-8-16-10/h3-4,7,12H,1-2,5-6,8H2,(H2,14,18)/p+1/t12-/m1/s1