1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Openeye Name: 1-(2-furylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium CAS Name: 1-(2-furanylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(furan-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium Traditional Name: 1-(2-furfuryl)-4-[4-(trifluoromethyl)benzyl]piperazine-1,4-diium Formula: C17H21F3N2O+2 MolecularWeight: 326.35665

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CO3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)CC3=CC=CO3

InChI

InChI=1S/C17H19F3N2O/c18-17(19,20)15-5-3-14(4-6-15)12-21-7-9-22(10-8-21)13-16-2-1-11-23-16/h1-6,11H,7-10,12-13H2/p+2