1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine-1,4-diium Formula: C15H23F3N2O+2 MolecularWeight: 304.35113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H21F3N2O/c1-19-7-9-20(10-8-19)6-3-11-21-14-5-2-4-13(12-14)15(16,17)18/h2,4-5,12H,3,6-11H2,1H3/p+2