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

Systemtic Name: 1-(4-chlorophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(4-chlorophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-chlorophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(4-chlorophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(4-chlorophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Formula: C20H14BrClN2O MolecularWeight: 413.69496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C3=C(C=CC=[N+]3CC(=O)C4=CC=C(C=C4)Cl)C=C2)N=C1.[Br-]

Isomeric SMILES

C1=CC2=C(C3=C(C=CC=[N+]3CC(=O)C4=CC=C(C=C4)Cl)C=C2)N=C1.[Br-]

InChI

InChI=1S/C20H14ClN2O.BrH/c21-17-9-7-14(8-10-17)18(24)13-23-12-2-4-16-6-5-15-3-1-11-22-19(15)20(16)23;/h1-12H,13H2;1H/q+1;/p-1