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

Systemtic Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)acetic acid CAS Name: 2-[4-(methylthio)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-(4-methylsulfanylpyridin-1-ium-1-yl)acetic acid Traditional Name: 2-[4-(methylthio)pyridin-1-ium-1-yl]acetic acid Formula: C8H10NO2S+ MolecularWeight: 184.2355

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C=C1)CC(=O)O

Isomeric SMILES

CSC1=CC=[N+](C=C1)CC(=O)O

InChI

InChI=1S/C8H9NO2S/c1-12-7-2-4-9(5-3-7)6-8(10)11/h2-5H,6H2,1H3/p+1