methyl 2,6-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoate dibromide

Systemtic Name: methyl 2,6-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoate dibromide Openeye Name: methyl 2,6-bis[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoate dibromide CAS Name: 2,6-bis[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester dibromide IUPAC Name: methyl 2,6-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]benzoate dibromide Traditional Name: 2,6-bis[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzoic acid methyl ester dibromide Formula: C30H26Br2N4O2 MolecularWeight: 634.36104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-].[Br-]

Isomeric SMILES

COC(=O)C1=C(C=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-].[Br-]

InChI

InChI=1S/C30H26N4O2.2BrH/c1-36-30(35)29-27(21-33-17-9-25(10-18-33)23-5-13-31-14-6-23)3-2-4-28(29)22-34-19-11-26(12-20-34)24-7-15-32-16-8-24;;/h2-20H,21-22H2,1H3;2*1H/q+2;;/p-2