2-phenanthridin-5-ium-5-yl-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-phenanthridin-5-ium-5-yl-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-phenanthridin-5-ium-5-yl-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(5-phenanthridin-5-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-phenanthridin-5-ium-5-yl-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-phenanthridin-5-ium-5-yl-1-(4-phenylphenyl)ethanone bromide Formula: C27H20BrNO MolecularWeight: 454.3578

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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=CC4=CC=CC=C4C5=CC=CC=C53.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C5=CC=CC=C53.[Br-]

InChI

InChI=1S/C27H20NO.BrH/c29-27(22-16-14-21(15-17-22)20-8-2-1-3-9-20)19-28-18-23-10-4-5-11-24(23)25-12-6-7-13-26(25)28;/h1-18H,19H2;1H/q+1;/p-1