2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C20H21FN3O4S+ MolecularWeight: 418.461843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H20FN3O4S/c21-15-4-3-5-16(14-15)29(27,28)23-11-8-22(9-12-23)10-13-24-19(25)17-6-1-2-7-18(17)20(24)26/h1-7,14H,8-13H2/p+1