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

Systemtic Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Openeye Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium CAS Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Traditional Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenoxy]butyl]piperazine-1,4-diium Formula: C16H25F3N2O+2 MolecularWeight: 318.37771

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23F3N2O/c1-20-8-10-21(11-9-20)7-2-3-12-22-15-6-4-5-14(13-15)16(17,18)19/h4-6,13H,2-3,7-12H2,1H3/p+2