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

Systemtic Name: 1-(3-bromophenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-dione CAS Name: 1-(3-bromophenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-dione Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-bromophenyl)pyrrolidine-2,5-quinone Formula: C21H24BrN3O2+2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN3O2/c22-17-7-4-8-18(13-17)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)15-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2/p+2