2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-[2,6-dimethyl-4-(methylthio)-1-pyridin-1-iumyl]acetic acid IUPAC Name: 2-(2,6-dimethyl-4-methylsulfanylpyridin-1-ium-1-yl)acetic acid Traditional Name: 2-[2,6-dimethyl-4-(methylthio)pyridin-1-ium-1-yl]acetic acid Formula: C10H14NO2S+ MolecularWeight: 212.28866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC(=O)O)C)SC

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC(=O)O)C)SC

InChI

InChI=1S/C10H13NO2S/c1-7-4-9(14-3)5-8(2)11(7)6-10(12)13/h4-5H,6H2,1-3H3/p+1