(4-methylpiperazin-4-ium-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-methyl-3-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C11H16F3N4O+ MolecularWeight: 277.26615

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C(F)(F)F)C

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C(F)(F)F)C

InChI

InChI=1S/C11H15F3N4O/c1-16-3-5-18(6-4-16)10(19)8-7-17(2)15-9(8)11(12,13)14/h7H,3-6H2,1-2H3/p+1