2-(6-carboxy-5-chloranyl-pyridin-2-yl)sulfanylethyl-dimethyl-azanium chloride

Systemtic Name: 2-(6-carboxy-5-chloranyl-pyridin-2-yl)sulfanylethyl-dimethyl-azanium chloride Openeye Name: 2-[(6-carboxy-5-chloro-2-pyridyl)sulfanyl]ethyl-dimethyl-ammonium chloride CAS Name: 2-[(6-carboxy-5-chloro-2-pyridinyl)thio]ethyl-dimethylammonium chloride IUPAC Name: 2-(6-carboxy-5-chloropyridin-2-yl)sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[(6-carboxy-5-chloro-2-pyridyl)thio]ethyl-dimethyl-ammonium chloride Formula: C10H14Cl2N2O2S MolecularWeight: 297.20136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13ClN2O2S.ClH/c1-13(2)5-6-16-8-4-3-7(11)9(12-8)10(14)15;/h3-4H,5-6H2,1-2H3,(H,14,15);1H