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

Systemtic Name: (3S)-1-(3-bromophenyl)-3-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-(4-benzoyl-1-piperazin-1-iumyl)-1-(3-bromophenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzoylpiperazin-1-ium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-quinone Formula: C21H21BrN3O3+ MolecularWeight: 443.31374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c22-16-7-4-8-17(13-16)25-19(26)14-18(21(25)28)23-9-11-24(12-10-23)20(27)15-5-2-1-3-6-15/h1-8,13,18H,9-12,14H2/p+1/t18-/m0/s1