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

Systemtic Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[[(3S)-3-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC[C@@H](C2)C3=C(C=NN3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H24FN3O2/c1-28-19-7-8-21(27)17(11-19)14-26-9-3-5-16(13-26)22-20(12-24-25-22)15-4-2-6-18(23)10-15/h2,4,6-8,10-12,16,27H,3,5,9,13-14H2,1H3,(H,24,25)/p+1/t16-/m0/s1