2-(4-methylsulfanylpyridin-1-ium-1-yl)propanoic acid

Systemtic Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)propanoic acid Openeye Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)propanoic acid CAS Name: 2-[4-(methylthio)-1-pyridin-1-iumyl]propanoic acid IUPAC Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)propanoic acid Traditional Name: 2-[4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

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