2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(3-bromophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(3-bromophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C19H19BrN3O4S+ MolecularWeight: 465.34086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H18BrN3O4S/c20-14-4-3-5-15(12-14)28(26,27)22-10-8-21(9-11-22)13-23-18(24)16-6-1-2-7-17(16)19(23)25/h1-7,12H,8-11,13H2/p+1