(3R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione

Systemtic Name: (3R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-1-methylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-methylpyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C17H24N3O6S+ MolecularWeight: 398.45396

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C17H23N3O6S/c1-18-16(21)11-13(17(18)22)19-6-8-20(9-7-19)27(23,24)15-10-12(25-2)4-5-14(15)26-3/h4-5,10,13H,6-9,11H2,1-3H3/p+1/t13-/m1/s1