ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate dibromide

Systemtic Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate dibromide Openeye Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate dibromide CAS Name: 1-[[4-[(3-ethoxycarbonyl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumcarboxylic acid ethyl ester dibromide IUPAC Name: ethyl 1-[[4-[(3-ethoxycarbonylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-carboxylate dibromide Traditional Name: 1-[4-[(3-carbethoxypyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-carboxylic acid ethyl ester dibromide Formula: C24H26Br2N2O4 MolecularWeight: 566.28224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)OCC.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3)C(=O)OCC.[Br-].[Br-]

InChI

InChI=1S/C24H26N2O4.2BrH/c1-3-29-23(27)21-7-5-13-25(17-21)15-19-9-11-20(12-10-19)16-26-14-6-8-22(18-26)24(28)30-4-2;;/h5-14,17-18H,3-4,15-16H2,1-2H3;2*1H/q+2;;/p-2