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

Systemtic Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[1-(2-fluorophenyl)-4-pyrazolyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-isopropyl-piperazin-1-ium-2-yl]ethanol Formula: C19H28FN4O+ MolecularWeight: 347.450223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4O/c1-15(2)23-9-8-22(14-17(23)7-10-25)12-16-11-21-24(13-16)19-6-4-3-5-18(19)20/h3-6,11,13,15,17,25H,7-10,12,14H2,1-2H3/p+1/t17-/m0/s1