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

Systemtic Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Openeye Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione CAS Name: 1-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]pyrrolidine-2,5-dione IUPAC Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-dione Traditional Name: 1-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]pyrrolidine-2,5-quinone Formula: C15H19N4O4+ MolecularWeight: 319.33576

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O4/c20-14-5-6-15(21)18(14)11-16-7-9-17(10-8-16)12-1-3-13(4-2-12)19(22)23/h1-4H,5-11H2/p+1