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

Systemtic Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone Openeye Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone IUPAC Name: 1-(4-methylphenyl)-2-(1,10-phenanthrolin-1-ium-1-yl)ethanone Traditional Name: 2-(1,10-phenanthrolin-1-ium-1-yl)-1-(p-tolyl)ethanone Formula: C21H17N2O+ MolecularWeight: 313.37248

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N2O/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/q+1