2-(4-tert-butylphenyl)-1,3-dipyridin-2-yl-benzimidazol-3-ium iodide

Systemtic Name: 2-(4-tert-butylphenyl)-1,3-dipyridin-2-yl-benzimidazol-3-ium iodide Openeye Name: 2-(4-tert-butylphenyl)-1,3-bis(2-pyridyl)benzimidazol-3-ium iodide CAS Name: 2-(4-tert-butylphenyl)-1,3-bis(2-pyridinyl)benzimidazol-3-ium iodide IUPAC Name: 2-(4-tert-butylphenyl)-1,3-dipyridin-2-ylbenzimidazol-3-ium iodide Traditional Name: 2-(4-tert-butylphenyl)-1,3-bis(2-pyridyl)benzimidazol-3-ium iodide Formula: C27H25IN4 MolecularWeight: 532.41867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2C4=CC=CC=N4)C5=CC=CC=N5.[I-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N2C4=CC=CC=N4)C5=CC=CC=N5.[I-]

InChI

InChI=1S/C27H25N4.HI/c1-27(2,3)21-16-14-20(15-17-21)26-30(24-12-6-8-18-28-24)22-10-4-5-11-23(22)31(26)25-13-7-9-19-29-25;/h4-19H,1-3H3;1H/q+1;/p-1