2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-fluorophenyl)-4-pyrazolyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Formula: C17H24FN4O+ MolecularWeight: 319.397063

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1CCO)CC2=CN(N=C2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=CN(N=C2)C3=CC=CC=C3F

InChI

InChI=1S/C17H23FN4O/c1-20-7-8-21(13-15(20)6-9-23)11-14-10-19-22(12-14)17-5-3-2-4-16(17)18/h2-5,10,12,15,23H,6-9,11,13H2,1H3/p+1/t15-/m0/s1