(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide CAS Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazin-4-iumyl)ethanethioamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethanethioamide Traditional Name: (2S)-2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-4-ium-1-yl)thioacetamide Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(C2=CC3=C(C=C2)OCO3)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](C2=CC3=C(C=C2)OCO3)C(=S)N

InChI

InChI=1S/C14H19N3O2S/c1-16-4-6-17(7-5-16)13(14(15)20)10-2-3-11-12(8-10)19-9-18-11/h2-3,8,13H,4-7,9H2,1H3,(H2,15,20)/p+1/t13-/m0/s1