3-methyl-2-pyridin-1-ium-2-ylsulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-pyridin-1-ium-2-ylsulfanyl-butanoic acid Openeye Name: 3-methyl-2-pyridin-1-ium-2-ylsulfanyl-butanoic acid CAS Name: 3-methyl-2-(2-pyridin-1-iumylthio)butanoic acid IUPAC Name: 3-methyl-2-pyridin-1-ium-2-ylsulfanylbutanoic acid Traditional Name: 3-methyl-2-(pyridin-1-ium-2-ylthio)butyric acid Formula: C10H14NO2S+ MolecularWeight: 212.28866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=CC=CC=[NH+]1

Isomeric SMILES

CC(C)C(C(=O)O)SC1=CC=CC=[NH+]1

InChI

InChI=1S/C10H13NO2S/c1-7(2)9(10(12)13)14-8-5-3-4-6-11-8/h3-7,9H,1-2H3,(H,12,13)/p+1