1-(3-phenylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(3-phenylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-(3-phenylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-(3-phenylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(3-phenylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-(3-phenylpropyl)-4-[2-(trifluoromethyl)benzyl]piperazine-1,4-diium Formula: C21H27F3N2+2 MolecularWeight: 364.44769

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C[NH+](CC[NH+]1CCCC2=CC=CC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H25F3N2/c22-21(23,24)20-11-5-4-10-19(20)17-26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11H,6,9,12-17H2/p+2