8-(4-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-(4-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(p-tolyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(4-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(4-methylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-(p-tolyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C23H21N2O+ MolecularWeight: 341.42564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=[NH+]5

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=C4C=CC=[NH+]5

InChI

InChI=1S/C23H20N2O/c1-14-7-9-15(10-8-14)23-22-17(4-2-6-20(22)26)21-16-5-3-13-24-18(16)11-12-19(21)25-23/h3,5,7-13,23,25H,2,4,6H2,1H3/p+1