(3R)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-4-fluorophenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-chloro-4-fluorophenyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-(3-chloro-4-fluoro-phenyl)pyrrolidine-2,5-quinone Formula: C21H23ClFN3O2+2 MolecularWeight: 403.877623

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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(=C(C=C4)F)Cl

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@@H]3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O2/c22-17-12-16(6-7-18(17)23)26-20(27)13-19(21(26)28)25-10-8-24(9-11-25)14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2/p+2/t19-/m1/s1