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

Systemtic Name: 2-(3,5-diethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)ethanoate Openeye Name: 2-(3,5-diethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)acetate CAS Name: 2-(3,5-diethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)acetate IUPAC Name: 2-(3,5-diethyl-4-sulfanylidene-1,3,5-triazinan-1-ium-1-yl)acetate Traditional Name: 2-(3,5-diethyl-4-thioxo-1,3,5-triazinan-1-ium-1-yl)acetate Formula: C9H17N3O2S MolecularWeight: 231.31518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C[NH+](CN(C1=S)CC)CC(=O)[O-]

Isomeric SMILES

CCN1C[NH+](CN(C1=S)CC)CC(=O)[O-]

InChI

InChI=1S/C9H17N3O2S/c1-3-11-6-10(5-8(13)14)7-12(4-2)9(11)15/h3-7H2,1-2H3,(H,13,14)