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

Systemtic Name: 8-(4-bromophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Openeye Name: 8-(4-bromophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one CAS Name: 8-(4-bromophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one IUPAC Name: 8-(4-bromophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Traditional Name: 8-(4-bromophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-4-ium-9-one Formula: C22H18BrN2O+ MolecularWeight: 406.29512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1

Isomeric SMILES

C1CC2=C(C(NC3=C2C4=C(C=C3)[NH+]=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1

InChI

InChI=1S/C22H17BrN2O/c23-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-24-17(15)10-11-18(20)25-22/h2,4,6-12,22,25H,1,3,5H2/p+1