ethyl isoquinolin-2-ium-5-carboxylate

Systemtic Name: ethyl isoquinolin-2-ium-5-carboxylate Openeye Name: ethyl isoquinolin-2-ium-5-carboxylate CAS Name: 5-isoquinolin-2-iumcarboxylic acid ethyl ester IUPAC Name: ethyl isoquinolin-2-ium-5-carboxylate Traditional Name: isoquinolin-2-ium-5-carboxylic acid ethyl ester Formula: C12H12NO2+ MolecularWeight: 202.22918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC2=C1C=C[NH+]=C2

Isomeric SMILES

CCOC(=O)C1=CC=CC2=C1C=C[NH+]=C2

InChI

InChI=1S/C12H11NO2/c1-2-15-12(14)11-5-3-4-9-8-13-7-6-10(9)11/h3-8H,2H2,1H3/p+1