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

Systemtic Name: didodecyl 1-methyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide Openeye Name: didodecyl 1-methyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide CAS Name: 1-methyl-4-phenyl-2,6-bis(1-pyridin-1-iumylmethyl)-4H-pyridine-3,5-dicarboxylic acid didodecyl ester dibromide IUPAC Name: didodecyl 1-methyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylate dibromide Traditional Name: 1-methyl-4-phenyl-2,6-bis(pyridin-1-ium-1-ylmethyl)-4H-pyridine-3,5-dicarboxylic acid dilauryl ester dibromide Formula: C50H73Br2N3O4 MolecularWeight: 939.94032

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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)C)C[N+]4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2)C(=O)OCCCCCCCCCCCC)C[N+]3=CC=CC=C3)C)C[N+]4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C50H73N3O4.2BrH/c1-4-6-8-10-12-14-16-18-20-31-39-56-49(54)47-44(41-52-35-27-23-28-36-52)51(3)45(42-53-37-29-24-30-38-53)48(46(47)43-33-25-22-26-34-43)50(55)57-40-32-21-19-17-15-13-11-9-7-5-2;;/h22-30,33-38,46H,4-21,31-32,39-42H2,1-3H3;2*1H/q+2;;/p-2