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

Systemtic Name: 2-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]isoindoline-1,3-quinone Formula: C20H22N3O4S+ MolecularWeight: 400.47138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O4S/c24-19-17-8-4-5-9-18(17)20(25)23(19)15-21-10-12-22(13-11-21)28(26,27)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1