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

Systemtic Name: diethyl 2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)propanedioate dibromide Openeye Name: diethyl 2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)propanedioate dibromide CAS Name: 2-[4-(4-pyridin-1-iumyl)-1-pyridin-1-iumyl]propanedioic acid diethyl ester dibromide IUPAC Name: diethyl 2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)propanedioate dibromide Traditional Name: 2-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)malonic acid diethyl ester dibromide Formula: C17H20Br2N2O4 MolecularWeight: 476.1597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)C2=CC=[NH+]C=C2.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)[N+]1=CC=C(C=C1)C2=CC=[NH+]C=C2.[Br-].[Br-]

InChI

InChI=1S/C17H19N2O4.2BrH/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;2*1H/q+1;;/p-1