1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium

Systemtic Name: 1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Openeye Name: 1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium CAS Name: 1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium IUPAC Name: 1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Traditional Name: 1-ethyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Formula: C17H27F3N2O+2 MolecularWeight: 332.40429

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C17H25F3N2O/c1-2-21-9-11-22(12-10-21)8-3-4-13-23-16-7-5-6-15(14-16)17(18,19)20/h5-7,14H,2-4,8-13H2,1H3/p+2