1,3-benzodioxol-5-ylmethyl-(6-methylidene-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazinan-3-yl)azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-(6-methylidene-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazinan-3-yl)azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-(6-methylene-3-methylsulfanyl-5-oxo-1,2,4-triazinan-3-yl)ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[6-methylene-3-(methylthio)-5-oxo-1,2,4-triazinan-3-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-(6-methylidene-3-methylsulfanyl-5-oxo-1,2,4-triazinan-3-yl)azanium Traditional Name: [5-keto-6-methylene-3-(methylthio)-1,2,4-triazinan-3-yl]-piperonyl-ammonium Formula: C13H17N4O3S+ MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(NC(=O)C(=C)NN1)[NH2+]CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSC1(NC(=O)C(=C)NN1)[NH2+]CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H16N4O3S/c1-8-12(18)15-13(21-2,17-16-8)14-6-9-3-4-10-11(5-9)20-7-19-10/h3-5,14,16-17H,1,6-7H2,2H3,(H,15,18)/p+1