ethyl isoquinolin-2-ium-2-carboxylate chloride

Systemtic Name: ethyl isoquinolin-2-ium-2-carboxylate chloride Openeye Name: ethyl isoquinolin-2-ium-2-carboxylate chloride CAS Name: 2-isoquinolin-2-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl isoquinolin-2-ium-2-carboxylate chloride Traditional Name: isoquinolin-2-ium-2-carboxylic acid ethyl ester chloride Formula: C12H12ClNO2 MolecularWeight: 237.68218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1=CC2=CC=CC=C2C=C1.[Cl-]

Isomeric SMILES

CCOC(=O)[N+]1=CC2=CC=CC=C2C=C1.[Cl-]

InChI

InChI=1S/C12H12NO2.ClH/c1-2-15-12(14)13-8-7-10-5-3-4-6-11(10)9-13;/h3-9H,2H2,1H3;1H/q+1;/p-1