ethyl 3-cyanopyridin-1-ium-1-carboxylate chloride

Systemtic Name: ethyl 3-cyanopyridin-1-ium-1-carboxylate chloride Openeye Name: ethyl 3-cyanopyridin-1-ium-1-carboxylate chloride CAS Name: 3-cyano-1-pyridin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 3-cyanopyridin-1-ium-1-carboxylate chloride Traditional Name: 3-cyanopyridin-1-ium-1-carboxylic acid ethyl ester chloride Formula: C9H9ClN2O2 MolecularWeight: 212.63296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC=CC(=C1)C#N.[Cl-]

Isomeric SMILES

CCOC(=O)[N+]1=CC=CC(=C1)C#N.[Cl-]

InChI

InChI=1S/C9H9N2O2.ClH/c1-2-13-9(12)11-5-3-4-8(6-10)7-11;/h3-5,7H,2H2,1H3;1H/q+1;/p-1