ethyl 2-oxidanidyl-3,4-dihydroisoquinolin-2-ium-4-carboxylate

Systemtic Name: ethyl 2-oxidanidyl-3,4-dihydroisoquinolin-2-ium-4-carboxylate Openeye Name: ethyl 2-oxido-3,4-dihydroisoquinolin-2-ium-4-carboxylate CAS Name: 2-oxido-3,4-dihydroisoquinolin-2-ium-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxido-3,4-dihydroisoquinolin-2-ium-4-carboxylate Traditional Name: 2-oxido-3,4-dihydroisoquinolin-2-ium-4-carboxylic acid ethyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C[N+](=CC2=CC=CC=C12)[O-]

Isomeric SMILES

CCOC(=O)C1C[N+](=CC2=CC=CC=C12)[O-]

InChI

InChI=1S/C12H13NO3/c1-2-16-12(14)11-8-13(15)7-9-5-3-4-6-10(9)11/h3-7,11H,2,8H2,1H3