2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N,N-dimethyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N,N-dimethyl-acetamide CAS Name: 2-[4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-N,N-dimethylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)piperazin-1-ium-1-yl]-N,N-dimethylacetamide Traditional Name: N,N-dimethyl-2-[4-(piperonylthiocarbamoyl)piperazin-1-ium-1-yl]acetamide Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCN(CC1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H24N4O3S/c1-19(2)16(22)11-20-5-7-21(8-6-20)17(25)18-10-13-3-4-14-15(9-13)24-12-23-14/h3-4,9H,5-8,10-12H2,1-2H3,(H,18,25)/p+1