2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]ethanoic acid Openeye Name: 2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]acetic acid CAS Name: 2-[1-(2-mercaptoethyl)-3-pyridin-1-iumyl]acetic acid IUPAC Name: 2-[1-(2-sulfanylethyl)pyridin-1-ium-3-yl]acetic acid Traditional Name: 2-[1-(2-mercaptoethyl)pyridin-1-ium-3-yl]acetic acid Formula: C9H12NO2S+ MolecularWeight: 198.26208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2S/c11-9(12)6-8-2-1-3-10(7-8)4-5-13/h1-3,7H,4-6H2,(H-,11,12,13)/p+1