ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate dibromide

Systemtic Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate dibromide Openeye Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate dibromide CAS Name: 4-[3-[[3-(4-ethoxycarbonylphenyl)-1-imidazol-1-iumyl]methyl]-1-imidazol-3-iumyl]benzoic acid ethyl ester dibromide IUPAC Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate dibromide Traditional Name: 4-[3-[[3-(4-carbethoxyphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoic acid ethyl ester dibromide Formula: C25H26Br2N4O4 MolecularWeight: 606.30634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=CC=C(C=C4)C(=O)OCC.[Br-].[Br-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C[N+](=C2)C[N+]3=CN(C=C3)C4=CC=C(C=C4)C(=O)OCC.[Br-].[Br-]

InChI

InChI=1S/C25H26N4O4.2BrH/c1-3-32-24(30)20-5-9-22(10-6-20)28-15-13-26(18-28)17-27-14-16-29(19-27)23-11-7-21(8-12-23)25(31)33-4-2;;/h5-16,18-19H,3-4,17H2,1-2H3;2*1H/q+2;;/p-2