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

Systemtic Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-yl]ethanone Openeye Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-2-pyridyl]ethanone CAS Name: 1-[3-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)-2-pyridinyl]ethanone IUPAC Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)pyridin-2-yl]ethanone Traditional Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)-2-pyridyl]ethanone Formula: C13H17F3N3O+ MolecularWeight: 288.28879

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=N1)C(F)(F)F)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=O)C1=C(C=C(C=N1)C(F)(F)F)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H16F3N3O/c1-9(20)12-11(19-5-3-18(2)4-6-19)7-10(8-17-12)13(14,15)16/h7-8H,3-6H2,1-2H3/p+1