diethyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioate

Systemtic Name: diethyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioate Openeye Name: diethyl 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]propanedioate CAS Name: 2-(4-pyridin-4-yl-1-pyridin-1-iumyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-pyridin-4-ylpyridin-1-ium-1-yl)propanedioate Traditional Name: 2-[4-(4-pyridyl)pyridin-1-ium-1-yl]malonic acid diethyl ester Formula: C17H19N2O4+ MolecularWeight: 315.34376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)C2=CC=NC=C2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)C2=CC=NC=C2

InChI

InChI=1S/C17H19N2O4/c1-3-22-16(20)15(17(21)23-4-2)19-11-7-14(8-12-19)13-5-9-18-10-6-13/h5-12,15H,3-4H2,1-2H3/q+1