(3R)-1-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-methyl-3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-methyl-3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-methyl-3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-mesyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-1-methyl-pyrrolidine-2,5-quinone Formula: C16H21N4O6S+ MolecularWeight: 397.42614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O6S/c1-17-15(21)10-14(16(17)22)19-7-5-18(6-8-19)12-4-3-11(27(2,25)26)9-13(12)20(23)24/h3-4,9,14H,5-8,10H2,1-2H3/p+1/t14-/m1/s1