1-(4-prop-2-enylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone

Systemtic Name: 1-(4-prop-2-enylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Openeye Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone CAS Name: 1-(4-prop-2-enyl-1-piperazin-4-iumyl)-2-[3-(trifluoromethyl)phenoxy]ethanone IUPAC Name: 1-(4-prop-2-enylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Traditional Name: 1-(4-allylpiperazin-4-ium-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone Formula: C16H20F3N2O2+ MolecularWeight: 329.33741

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C=CC[NH+]1CCN(CC1)C(=O)COC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H19F3N2O2/c1-2-6-20-7-9-21(10-8-20)15(22)12-23-14-5-3-4-13(11-14)16(17,18)19/h2-5,11H,1,6-10,12H2/p+1