ethyl 2-(1,3-benzothiazol-2-yl)pyridin-1-ium-3-carboxylate chloride

Systemtic Name: ethyl 2-(1,3-benzothiazol-2-yl)pyridin-1-ium-3-carboxylate chloride Openeye Name: ethyl 2-(1,3-benzothiazol-2-yl)pyridin-1-ium-3-carboxylate chloride CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-(1,3-benzothiazol-2-yl)pyridin-1-ium-3-carboxylate chloride Traditional Name: 2-(1,3-benzothiazol-2-yl)pyridin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C15H13ClN2O2S MolecularWeight: 320.79392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=CC=C1)C2=NC3=CC=CC=C3S2.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C([NH+]=CC=C1)C2=NC3=CC=CC=C3S2.[Cl-]

InChI

InChI=1S/C15H12N2O2S.ClH/c1-2-19-15(18)10-6-5-9-16-13(10)14-17-11-7-3-4-8-12(11)20-14;/h3-9H,2H2,1H3;1H