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

Systemtic Name: 1-(4-bromophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone Openeye Name: 1-(4-bromophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone CAS Name: 1-(4-bromophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone IUPAC Name: 1-(4-bromophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone Traditional Name: 1-(4-bromophenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone Formula: C20H14BrN2O+ MolecularWeight: 378.24196

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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)Br)C=C2)N=C1

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN2O/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/q+1