(3R)-3-[4-(4-methylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(4-methylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(4-methylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-methylsulfonylphenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(4-methylsulfonylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-mesylphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C15H20N3O4S+ MolecularWeight: 338.402

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C3CC(=O)NC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)[C@@H]3CC(=O)NC3=O

InChI

InChI=1S/C15H19N3O4S/c1-23(21,22)12-4-2-11(3-5-12)17-6-8-18(9-7-17)13-10-14(19)16-15(13)20/h2-5,13H,6-10H2,1H3,(H,16,19,20)/p+1/t13-/m1/s1