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

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-ethanethioamide Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-thioacetamide CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-(1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-ylethanethioamide Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-2-piperazin-4-ium-1-yl-thioacetamide Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@H](C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C13H17N3O2S/c14-13(19)12(16-5-3-15-4-6-16)9-1-2-10-11(7-9)18-8-17-10/h1-2,7,12,15H,3-6,8H2,(H2,14,19)/p+1/t12-/m1/s1