2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[[3-(trifluoromethyl)-1H-pyrazol-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C12H20F3N4O+ MolecularWeight: 293.30861

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1CCO)CC2=CC(=NN2)C(F)(F)F

Isomeric SMILES

CN1CC[NH+](C[C@@H]1CCO)CC2=CC(=NN2)C(F)(F)F

InChI

InChI=1S/C12H19F3N4O/c1-18-3-4-19(8-10(18)2-5-20)7-9-6-11(17-16-9)12(13,14)15/h6,10,20H,2-5,7-8H2,1H3,(H,16,17)/p+1/t10-/m0/s1