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

Systemtic Name: 2-[(2S)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(4-fluorophenyl)-4-pyrazolyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(4-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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C17H23FN4O/c1-20-7-8-21(13-17(20)6-9-23)11-14-10-19-22(12-14)16-4-2-15(18)3-5-16/h2-5,10,12,17,23H,6-9,11,13H2,1H3/p+1/t17-/m0/s1