1-ethyl-4-octadecyl-1-[[3-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium bromide

Systemtic Name: 1-ethyl-4-octadecyl-1-[[3-(trifluoromethyloxy)phenyl]methyl]piperazin-1-ium bromide Openeye Name: 1-ethyl-4-octadecyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium bromide CAS Name: 1-ethyl-4-octadecyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium bromide IUPAC Name: 1-ethyl-4-octadecyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperazin-1-ium bromide Traditional Name: 1-ethyl-4-stearyl-1-[3-(trifluoromethoxy)benzyl]piperazin-1-ium bromide Formula: C32H56BrF3N2O MolecularWeight: 621.69905

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CC[N+](CC1)(CC)CC2=CC(=CC=C2)OC(F)(F)F.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CC[N+](CC1)(CC)CC2=CC(=CC=C2)OC(F)(F)F.[Br-]

InChI

InChI=1S/C32H56F3N2O.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-36-24-26-37(4-2,27-25-36)29-30-21-20-22-31(28-30)38-32(33,34)35;/h20-22,28H,3-19,23-27,29H2,1-2H3;1H/q+1;/p-1