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

Systemtic Name: 2-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-(4-besylpiperazin-1-ium-1-yl)ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S/c28-23-20-10-4-6-18-7-5-11-21(22(18)20)24(29)27(23)17-14-25-12-15-26(16-13-25)32(30,31)19-8-2-1-3-9-19/h1-11H,12-17H2/p+1