2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridin-1-iumyl)thio]acetate IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,6-dimethyl-pyridin-1-ium-2-yl)thio]acetate Formula: C10H10N2O2S MolecularWeight: 222.2636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)SCC(=O)[O-])C

InChI

InChI=1S/C10H10N2O2S/c1-6-3-7(2)12-10(8(6)4-11)15-5-9(13)14/h3H,5H2,1-2H3,(H,13,14)