1-(3-bromophenyl)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: 1-(3-bromophenyl)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: 1-(3-bromophenyl)-3-(4-cinnamylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-dione CAS Name: 1-(3-bromophenyl)-3-[4-(3-phenylprop-2-enyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: 1-(3-bromophenyl)-3-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Traditional Name: 1-(3-bromophenyl)-3-(4-cinnamylpiperazine-1,4-diium-1-yl)pyrrolidine-2,5-quinone Formula: C23H26BrN3O2+2 MolecularWeight: 456.37544

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C23H24BrN3O2/c24-19-9-4-10-20(16-19)27-22(28)17-21(23(27)29)26-14-12-25(13-15-26)11-5-8-18-6-2-1-3-7-18/h1-10,16,21H,11-15,17H2/p+2