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

Systemtic Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]isoindoline-1,3-quinone Formula: C21H24N3O4S+ MolecularWeight: 414.49796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O4S/c1-15-7-8-16(2)19(13-15)29(27,28)23-11-9-22(10-12-23)14-24-20(25)17-5-3-4-6-18(17)21(24)26/h3-8,13H,9-12,14H2,1-2H3/p+1