2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C26H19BrN2O MolecularWeight: 455.34586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC4=C3C5=C(C=CC=N5)C=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=CC4=C3C5=C(C=CC=N5)C=C4.[Br-]

InChI

InChI=1S/C26H19N2O.BrH/c29-24(21-12-10-20(11-13-21)19-6-2-1-3-7-19)18-28-17-5-9-23-15-14-22-8-4-16-27-25(22)26(23)28;/h1-17H,18H2;1H/q+1;/p-1