ethyl 2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2,6-dimethyl-4-methylsulfanyl-pyridin-1-ium-1-yl)acetate CAS Name: 2-[2,6-dimethyl-4-(methylthio)-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2,6-dimethyl-4-methylsulfanylpyridin-1-ium-1-yl)acetate Traditional Name: 2-[2,6-dimethyl-4-(methylthio)pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C12H18NO2S+ MolecularWeight: 240.34182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(C=C(C=C1C)SC)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(C=C(C=C1C)SC)C

InChI

InChI=1S/C12H18NO2S/c1-5-15-12(14)8-13-9(2)6-11(16-4)7-10(13)3/h6-7H,5,8H2,1-4H3/q+1