diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate

Systemtic Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate Openeye Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate CAS Name: 2-[3-(2-isoquinolin-2-iumyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-isoquinolin-2-ium-2-ylpropyl)propanedioate Traditional Name: 2-(3-isoquinolin-2-ium-2-ylpropyl)malonic acid diethyl ester Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24NO4/c1-3-23-18(21)17(19(22)24-4-2)10-7-12-20-13-11-15-8-5-6-9-16(15)14-20/h5-6,8-9,11,13-14,17H,3-4,7,10,12H2,1-2H3/q+1