ethyl 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylate

Systemtic Name: ethyl 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylate Openeye Name: ethyl 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylate CAS Name: 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylate Traditional Name: 2-ethoxy-1H-isoquinolin-2-ium-2-carboxylic acid ethyl ester Formula: C14H18NO3+ MolecularWeight: 248.29762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18NO3/c1-3-17-14(16)15(18-4-2)10-9-12-7-5-6-8-13(12)11-15/h5-10H,3-4,11H2,1-2H3/q+1