1-(4-chlorophenyl)-2-(4,6-diphenylpyridin-2-yl)-3-ethyl-benzimidazol-3-ium iodide

Systemtic Name: 1-(4-chlorophenyl)-2-(4,6-diphenylpyridin-2-yl)-3-ethyl-benzimidazol-3-ium iodide Openeye Name: 1-(4-chlorophenyl)-2-(4,6-diphenyl-2-pyridyl)-3-ethyl-benzimidazol-3-ium iodide CAS Name: 1-(4-chlorophenyl)-2-(4,6-diphenyl-2-pyridinyl)-3-ethylbenzimidazol-3-ium iodide IUPAC Name: 1-(4-chlorophenyl)-2-(4,6-diphenylpyridin-2-yl)-3-ethylbenzimidazol-3-ium iodide Traditional Name: 1-(4-chlorophenyl)-2-(4,6-diphenyl-2-pyridyl)-3-ethyl-benzimidazol-3-ium iodide Formula: C32H25ClIN3 MolecularWeight: 613.91847

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=CC=CC=C21)C3=CC=C(C=C3)Cl)C4=CC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6.[I-]

Isomeric SMILES

CC[N+]1=C(N(C2=CC=CC=C21)C3=CC=C(C=C3)Cl)C4=CC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6.[I-]

InChI

InChI=1S/C32H25ClN3.HI/c1-2-35-30-15-9-10-16-31(30)36(27-19-17-26(33)18-20-27)32(35)29-22-25(23-11-5-3-6-12-23)21-28(34-29)24-13-7-4-8-14-24;/h3-22H,2H2,1H3;1H/q+1;/p-1