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

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27FN4O/c1-15(2)23-10-9-22(14-18(23)6-11-25)13-16-12-17(20)4-5-19(16)24-8-3-7-21-24/h3-5,7-8,12,15,18,25H,6,9-11,13-14H2,1-2H3/p+1/t18-/m0/s1