methyl 4-[4-[1-(4-methoxycarbonylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoate dibromide

Systemtic Name: methyl 4-[4-[1-(4-methoxycarbonylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoate dibromide Openeye Name: methyl 4-[4-[1-(4-methoxycarbonylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoate dibromide CAS Name: 4-[4-[1-(4-methoxycarbonylphenyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]benzoic acid methyl ester dibromide IUPAC Name: methyl 4-[4-[1-(4-methoxycarbonylphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoate dibromide Traditional Name: 4-[4-[1-(4-carbomethoxyphenyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]benzoic acid methyl ester dibromide Formula: C26H22Br2N2O4 MolecularWeight: 586.27188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)C(=O)OC.[Br-].[Br-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=C(C=C4)C(=O)OC.[Br-].[Br-]

InChI

InChI=1S/C26H22N2O4.2BrH/c1-31-25(29)21-3-7-23(8-4-21)27-15-11-19(12-16-27)20-13-17-28(18-14-20)24-9-5-22(6-10-24)26(30)32-2;;/h3-18H,1-2H3;2*1H/q+2;;/p-2