2-[[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C18H22N5O4S+ MolecularWeight: 404.46338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H21N5O4S/c1-13-16(11-19-20(13)2)28(26,27)22-9-7-21(8-10-22)12-23-17(24)14-5-3-4-6-15(14)18(23)25/h3-6,11H,7-10,12H2,1-2H3/p+1