1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,3-dione

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,3-dione Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,3-dione CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butane-1,3-dione Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butane-1,3-dione Formula: C14H16ClF3N3O2+ MolecularWeight: 350.74395

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClF3N3O2/c1-9(22)6-12(23)20-2-4-21(5-3-20)13-11(15)7-10(8-19-13)14(16,17)18/h7-8H,2-6H2,1H3/p+1