2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[(4-besylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C19H20N3O4S+ MolecularWeight: 386.4448

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c23-18-16-8-4-5-9-17(16)19(24)22(18)14-20-10-12-21(13-11-20)27(25,26)15-6-2-1-3-7-15/h1-9H,10-14H2/p+1