2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]phenol Formula: C21H23FN3O+ MolecularWeight: 352.425223

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2O)C3=C(C=NN3)C4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2O)C3=C(C=NN3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H22FN3O/c22-18-8-3-6-15(11-18)19-12-23-24-21(19)17-7-4-10-25(14-17)13-16-5-1-2-9-20(16)26/h1-3,5-6,8-9,11-12,17,26H,4,7,10,13-14H2,(H,23,24)/p+1/t17-/m0/s1