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

Systemtic Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide CAS Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide IUPAC Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone bromide Traditional Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(p-tolyl)ethanone bromide Formula: C21H17BrN2O MolecularWeight: 393.27648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C4=C(C=CC=N4)C=C3.[Br-]

InChI

InChI=1S/C21H17N2O.BrH/c1-15-6-8-16(9-7-15)19(24)14-23-13-3-5-18-11-10-17-4-2-12-22-20(17)21(18)23;/h2-13H,14H2,1H3;1H/q+1;/p-1