ethyl isoquinolin-2-ium-2-carboxylate

Systemtic Name: ethyl isoquinolin-2-ium-2-carboxylate Openeye Name: ethyl isoquinolin-2-ium-2-carboxylate CAS Name: 2-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl isoquinolin-2-ium-2-carboxylate Traditional Name: isoquinolin-2-ium-2-carboxylic acid ethyl ester Formula: C12H12NO2+ MolecularWeight: 202.22918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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