diethyl 2-isoquinolin-2-ium-2-ylpropanedioate

Systemtic Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate Openeye Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate CAS Name: 2-(2-isoquinolin-2-iumyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate Traditional Name: 2-isoquinolin-2-ium-2-ylmalonic acid diethyl ester Formula: C16H18NO4+ MolecularWeight: 288.31842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO4/c1-3-20-15(18)14(16(19)21-4-2)17-10-9-12-7-5-6-8-13(12)11-17/h5-11,14H,3-4H2,1-2H3/q+1