2,6-bis(3-methylimidazol-3-ium-1-yl)benzenecarbonitrile diiodide

Systemtic Name: 2,6-bis(3-methylimidazol-3-ium-1-yl)benzenecarbonitrile diiodide Openeye Name: 2,6-bis(3-methylimidazol-3-ium-1-yl)benzonitrile diiodide CAS Name: 2,6-bis(3-methyl-1-imidazol-3-iumyl)benzonitrile diiodide IUPAC Name: 2,6-bis(3-methylimidazol-3-ium-1-yl)benzonitrile diiodide Traditional Name: 2,6-bis(3-methylimidazol-3-ium-1-yl)benzonitrile diiodide Formula: C15H15I2N5 MolecularWeight: 519.12204

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C2=C(C(=CC=C2)N3C=C[N+](=C3)C)C#N.[I-].[I-]

Isomeric SMILES

C[N+]1=CN(C=C1)C2=C(C(=CC=C2)N3C=C[N+](=C3)C)C#N.[I-].[I-]

InChI

InChI=1S/C15H15N5.2HI/c1-17-6-8-19(11-17)14-4-3-5-15(13(14)10-16)20-9-7-18(2)12-20;;/h3-9,11-12H,1-2H3;2*1H/q+2;;/p-2