(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethanethioamide

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethanethioamide Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-thioacetamide CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethanethioamide Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-thioacetamide Formula: C13H17N2O3S+ MolecularWeight: 281.35068

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

C1COCC[NH+]1[C@H](C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C13H16N2O3S/c14-13(19)12(15-3-5-16-6-4-15)9-1-2-10-11(7-9)18-8-17-10/h1-2,7,12H,3-6,8H2,(H2,14,19)/p+1/t12-/m1/s1