1-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentane-1,4-dione

Systemtic Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentane-1,4-dione Openeye Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentane-1,4-dione CAS Name: 1-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]pentane-1,4-dione IUPAC Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentane-1,4-dione Traditional Name: 1-[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]pentane-1,4-dione Formula: C22H25F2N2O2+ MolecularWeight: 387.442906

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)CCC(=O)N1CC[NH+](CC1)C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H24F2N2O2/c1-16(27)2-11-21(28)25-12-14-26(15-13-25)22(17-3-7-19(23)8-4-17)18-5-9-20(24)10-6-18/h3-10,22H,2,11-15H2,1H3/p+1