2-[(2S)-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-4-[(5-fluoranyl-2-pyrazol-1-yl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-yl-phenyl)methyl]-1-methyl-piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[5-fluoro-2-(1-pyrazolyl)phenyl]methyl]-1-methyl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(5-fluoro-2-pyrazol-1-yl-benzyl)-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=C(C=CC(=C2)F)N3C=CC=N3

Isomeric SMILES

C[NH+]1CCN(C[C@@H]1CCO)CC2=C(C=CC(=C2)F)N3C=CC=N3

InChI

InChI=1S/C17H23FN4O/c1-20-8-9-21(13-16(20)5-10-23)12-14-11-15(18)3-4-17(14)22-7-2-6-19-22/h2-4,6-7,11,16,23H,5,8-10,12-13H2,1H3/p+1/t16-/m0/s1