8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one

Systemtic Name: 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(4-isopropylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(4-propan-2-ylphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-p-cumenyl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C25H25N2O+ MolecularWeight: 369.4788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O/c1-15(2)16-8-10-17(11-9-16)25-24-19(5-3-7-22(24)28)23-18-6-4-14-26-20(18)12-13-21(23)27-25/h4,6,8-15,25,27H,3,5,7H2,1-2H3/p+1