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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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