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4-ethylsulfanylpyridin-1-ium-3-carboxylic acid bromide

4-ethylsulfanylpyridin-1-ium-3-carboxylic acid bromide

Systemtic Name:4-ethylsulfanylpyridin-1-ium-3-carboxylic acid bromide
Openeye Name:4-ethylsulfanylpyridin-1-ium-3-carboxylic acid bromide
CAS Name:4-(ethylthio)-3-pyridin-1-iumcarboxylic acid bromide
IUPAC Name:4-ethylsulfanylpyridin-1-ium-3-carboxylic acid bromide
Traditional Name:4-(ethylthio)pyridin-1-ium-3-carboxylic acid bromide
Formula: C8H10BrNO2S
MolecularWeight: 264.1395
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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=[NH+]C=C1)C(=O)O.[Br-]


Isomeric SMILES

CCSC1=C(C=[NH+]C=C1)C(=O)O.[Br-]


InChI

InChI=1S/C8H9NO2S.BrH/c1-2-12-7-3-4-9-5-6(7)8(10)11;/h3-5H,2H2,1H3,(H,10,11);1H


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