3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[4-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butan-1-one Formula: C16H23F3N3O+ MolecularWeight: 330.36853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22F3N3O/c1-15(2,3)11-14(23)22-8-6-21(7-9-22)13-10-12(4-5-20-13)16(17,18)19/h4-5,10H,6-9,11H2,1-3H3/p+1