2-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)ethanoate

Systemtic Name: 2-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)ethanoate Openeye Name: 2-(3,5-dimethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)acetate IUPAC Name: 2-(3,5-dimethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)acetate Formula: C7H13N3O2S MolecularWeight: 203.26202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C[NH+](CN(C1=S)C)CC(=O)[O-]

Isomeric SMILES

CN1C[NH+](CN(C1=S)C)CC(=O)[O-]

InChI

InChI=1S/C7H13N3O2S/c1-8-4-10(3-6(11)12)5-9(2)7(8)13/h3-5H2,1-2H3,(H,11,12)