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

Systemtic Name: (3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(2-phenylsulfanylphenyl)pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(2-phenylsulfanylphenyl)pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]-1-[2-(phenylthio)phenyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-(2-phenylsulfanylphenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-1-[2-(phenylthio)phenyl]pyrrolidine-2,5-quinone Formula: C26H25N4O4S+ MolecularWeight: 489.5661

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3SC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3SC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O4S/c31-25-18-23(28-16-14-27(15-17-28)19-10-12-20(13-11-19)30(33)34)26(32)29(25)22-8-4-5-9-24(22)35-21-6-2-1-3-7-21/h1-13,23H,14-18H2/p+1/t23-/m1/s1