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

Systemtic Name: didodecyl 1,4-diphenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide Openeye Name: didodecyl 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 didodecyl ester dibromide IUPAC Name: didodecyl 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 dilauryl ester dibromide Formula: C55H75Br2N3O4 MolecularWeight: 1002.0097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H75N3O4.2BrH/c1-3-5-7-9-11-13-15-17-19-33-43-61-54(59)52-49(45-56-39-29-23-30-40-56)58(48-37-27-22-28-38-48)50(46-57-41-31-24-32-42-57)53(51(52)47-35-25-21-26-36-47)55(60)62-44-34-20-18-16-14-12-10-8-6-4-2;;/h21-32,35-42,51H,3-20,33-34,43-46H2,1-2H3;2*1H/q+2;;/p-2