1-methyl-5-sulfanyl-pyridin-1-ium-2-carboxylic acid

Systemtic Name: 1-methyl-5-sulfanyl-pyridin-1-ium-2-carboxylic acid Openeye Name: 1-methyl-5-sulfanyl-pyridin-1-ium-2-carboxylic acid CAS Name: 5-mercapto-1-methyl-2-pyridin-1-iumcarboxylic acid IUPAC Name: 1-methyl-5-sulfanylpyridin-1-ium-2-carboxylic acid Traditional Name: 5-mercapto-1-methyl-pyridin-1-ium-2-carboxylic acid Formula: C7H8NO2S+ MolecularWeight: 170.20892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)S)C(=O)O

Isomeric SMILES

C[N+]1=C(C=CC(=C1)S)C(=O)O

InChI

InChI=1S/C7H7NO2S/c1-8-4-5(11)2-3-6(8)7(9)10/h2-4H,1H3,(H-,9,10,11)/p+1