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

Systemtic Name: 2-[2-[4-(2-bromophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-[(2-bromophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-bromobenzoyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C25H23BrN3O3+ MolecularWeight: 493.37242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CC=C5Br

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)C5=CC=CC=C5Br

InChI

InChI=1S/C25H22BrN3O3/c26-21-10-2-1-7-18(21)23(30)28-14-11-27(12-15-28)13-16-29-24(31)19-8-3-5-17-6-4-9-20(22(17)19)25(29)32/h1-10H,11-16H2/p+1