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

Systemtic Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-phenyl-ethanone bromide CAS Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-phenylethanone bromide IUPAC Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-phenylethanone bromide Traditional Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-phenyl-ethanone bromide Formula: C20H15BrN2O MolecularWeight: 379.2499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

InChI

InChI=1S/C20H15N2O.BrH/c23-18(15-6-2-1-3-7-15)14-22-13-5-9-17-11-10-16-8-4-12-21-19(16)20(17)22;/h1-13H,14H2;1H/q+1;/p-1