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

Systemtic Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate bromide Openeye Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate bromide CAS Name: 2-(2-isoquinolin-2-iumyl)propanedioic acid diethyl ester bromide IUPAC Name: diethyl 2-isoquinolin-2-ium-2-ylpropanedioate bromide Traditional Name: 2-isoquinolin-2-ium-2-ylmalonic acid diethyl ester bromide Formula: C16H18BrNO4 MolecularWeight: 368.22242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18NO4.BrH/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;1H/q+1;/p-1