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

Systemtic Name: (3S)-1-(4-nitrophenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(4-nitrophenyl)pyrrolidine-2,5-quinone Formula: C21H21N4O5+ MolecularWeight: 409.41524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5/c26-19-14-18(21(28)24(19)16-6-8-17(9-7-16)25(29)30)22-10-12-23(13-11-22)20(27)15-4-2-1-3-5-15/h1-9,18H,10-14H2/p+1/t18-/m0/s1