2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H16ClF3N3O+ MolecularWeight: 322.73385

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CC2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C13H15ClF3N3O/c1-19-2-4-20(5-3-19)12(21)7-11-10(14)6-9(8-18-11)13(15,16)17/h6,8H,2-5,7H2,1H3/p+1