ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate dibromide

Systemtic Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate dibromide Openeye Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate dibromide CAS Name: 1-[2-(3-ethoxycarbonyl-1-pyridin-1-iumyl)ethyl]-3-pyridin-1-iumcarboxylic acid ethyl ester dibromide IUPAC Name: ethyl 1-[2-(3-ethoxycarbonylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylate dibromide Traditional Name: 1-[2-(3-carbethoxypyridin-1-ium-1-yl)ethyl]pyridin-1-ium-3-carboxylic acid ethyl ester dibromide Formula: C18H22Br2N2O4 MolecularWeight: 490.18628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC[N+]2=CC=CC(=C2)C(=O)OCC.[Br-].[Br-]

InChI

InChI=1S/C18H22N2O4.2BrH/c1-3-23-17(21)15-7-5-9-19(13-15)11-12-20-10-6-8-16(14-20)18(22)24-4-2;;/h5-10,13-14H,3-4,11-12H2,1-2H3;2*1H/q+2;;/p-2