2-(4-methyl-2-sulfanyl-pyridin-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-methyl-2-sulfanyl-pyridin-1-ium-1-yl)ethanoic acid Openeye Name: 2-(4-methyl-2-sulfanyl-pyridin-1-ium-1-yl)acetic acid CAS Name: 2-(2-mercapto-4-methyl-1-pyridin-1-iumyl)acetic acid IUPAC Name: 2-(4-methyl-2-sulfanylpyridin-1-ium-1-yl)acetic acid Traditional Name: 2-(2-mercapto-4-methyl-pyridin-1-ium-1-yl)acetic acid Formula: C8H10NO2S+ MolecularWeight: 184.2355

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C=C1)CC(=O)O)S

Isomeric SMILES

CC1=CC(=[N+](C=C1)CC(=O)O)S

InChI

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