[(2S)-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Formula: C17H23FN3O2+ MolecularWeight: 320.381823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3CO)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC[C@H]3CO)F

InChI

InChI=1S/C17H22FN3O2/c1-23-16-6-5-12(8-15(16)18)17-13(9-19-20-17)10-21-7-3-2-4-14(21)11-22/h5-6,8-9,14,22H,2-4,7,10-11H2,1H3,(H,19,20)/p+1/t14-/m0/s1