bis[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanone diiodide

Systemtic Name: bis[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanone diiodide Openeye Name: bis[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanone diiodide CAS Name: bis[4-(3-methyl-1-imidazol-3-iumyl)phenyl]methanone diiodide IUPAC Name: bis[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanone diiodide Traditional Name: bis[4-(3-methylimidazol-3-ium-1-yl)phenyl]methanone diiodide Formula: C21H20I2N4O MolecularWeight: 598.21864

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N4C=C[N+](=C4)C.[I-].[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N4C=C[N+](=C4)C.[I-].[I-]

InChI

InChI=1S/C21H20N4O.2HI/c1-22-11-13-24(15-22)19-7-3-17(4-8-19)21(26)18-5-9-20(10-6-18)25-14-12-23(2)16-25;;/h3-16H,1-2H3;2*1H/q+2;;/p-2