2,2-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 2,2-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Openeye Name: 2,2-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one CAS Name: 2,2-dimethyl-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-propanone IUPAC Name: 2,2-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]propan-1-one Traditional Name: 2,2-dimethyl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]propan-1-one Formula: C15H21F3N3O+ MolecularWeight: 316.34195

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20F3N3O/c1-14(2,3)13(22)21-8-6-20(7-9-21)12-5-4-11(10-19-12)15(16,17)18/h4-5,10H,6-9H2,1-3H3/p+1