2-(2-methylsulfanylpyridin-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(2-methylsulfanylpyridin-1-ium-1-yl)propanoic acid Openeye Name: 2-(2-methylsulfanylpyridin-1-ium-1-yl)propanoic acid CAS Name: 2-[2-(methylthio)-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-(2-methylsulfanylpyridin-1-ium-1-yl)propanoic acid Traditional Name: 2-[2-(methylthio)pyridin-1-ium-1-yl]propionic acid Formula: C9H12NO2S+ MolecularWeight: 198.26208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=CC=CC=C1SC

Isomeric SMILES

CC(C(=O)O)[N+]1=CC=CC=C1SC

InChI

InChI=1S/C9H11NO2S/c1-7(9(11)12)10-6-4-3-5-8(10)13-2/h3-7H,1-2H3/p+1