2-[2-(6-methylpyridin-1-ium-3-yl)ethylsulfanyl]ethanoate

Systemtic Name: 2-[2-(6-methylpyridin-1-ium-3-yl)ethylsulfanyl]ethanoate Openeye Name: 2-[2-(6-methylpyridin-1-ium-3-yl)ethylsulfanyl]acetate CAS Name: 2-[2-(6-methyl-3-pyridin-1-iumyl)ethylthio]acetate IUPAC Name: 2-[2-(6-methylpyridin-1-ium-3-yl)ethylsulfanyl]acetate Traditional Name: 2-[2-(6-methylpyridin-1-ium-3-yl)ethylthio]acetate Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C=C1)CCSCC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C=C(C=C1)CCSCC(=O)[O-]

InChI

InChI=1S/C10H13NO2S/c1-8-2-3-9(6-11-8)4-5-14-7-10(12)13/h2-3,6H,4-5,7H2,1H3,(H,12,13)