1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[3-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[3-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]ethanone Formula: C12H15F3N3O+ MolecularWeight: 274.26221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C(F)(F)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C(F)(F)F

InChI

InChI=1S/C12H14F3N3O/c1-9(19)17-5-7-18(8-6-17)11-10(12(13,14)15)3-2-4-16-11/h2-4H,5-8H2,1H3/p+1