diethyl 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide

Systemtic Name: diethyl 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide Openeye Name: diethyl 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide CAS Name: 1,4-diphenyl-2,6-bis(1-pyridin-1-iumylmethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester dibromide IUPAC Name: diethyl 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide Traditional Name: 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester dibromide Formula: C35H35Br2N3O4 MolecularWeight: 721.4781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCC)C[N+]3=CC=CC=C3)C4=CC=CC=C4)C[N+]5=CC=CC=C5.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCC)C[N+]3=CC=CC=C3)C4=CC=CC=C4)C[N+]5=CC=CC=C5.[Br-].[Br-]

InChI

InChI=1S/C35H35N3O4.2BrH/c1-3-41-34(39)32-29(25-36-21-13-7-14-22-36)38(28-19-11-6-12-20-28)30(26-37-23-15-8-16-24-37)33(35(40)42-4-2)31(32)27-17-9-5-10-18-27;;/h5-24,31H,3-4,25-26H2,1-2H3;2*1H/q+2;;/p-2