2-(2-pyridin-1-ium-4-ylethylsulfanyl)ethanoate

Systemtic Name: 2-(2-pyridin-1-ium-4-ylethylsulfanyl)ethanoate Openeye Name: 2-(2-pyridin-1-ium-4-ylethylsulfanyl)acetate CAS Name: 2-[2-(4-pyridin-1-iumyl)ethylthio]acetate IUPAC Name: 2-(2-pyridin-1-ium-4-ylethylsulfanyl)acetate Traditional Name: 2-(2-pyridin-1-ium-4-ylethylthio)acetate Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1CCSCC(=O)[O-]

Isomeric SMILES

C1=C[NH+]=CC=C1CCSCC(=O)[O-]

InChI

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