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

Systemtic Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate Openeye Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate CAS Name: 4-[3-[[3-(4-ethoxycarbonylphenyl)-1-imidazol-1-iumyl]methyl]-1-imidazol-3-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[[3-(4-ethoxycarbonylphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoate Traditional Name: 4-[3-[[3-(4-carbethoxyphenyl)imidazol-1-ium-1-yl]methyl]imidazol-3-ium-1-yl]benzoic acid ethyl ester Formula: C25H26N4O4+2 MolecularWeight: 446.49834

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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

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

InChI

InChI=1S/C25H26N4O4/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/q+2