2-(4-bromophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(4-bromophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(4-bromophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(4-bromophenyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(4-bromophenyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(4-bromophenyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C22H19BrN3O2+ MolecularWeight: 437.30916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H18BrN3O2/c23-14-4-6-15(7-5-14)26-21(27)17-3-1-2-16-19(25-12-10-24-11-13-25)9-8-18(20(16)17)22(26)28/h1-9,24H,10-13H2/p+1