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

Systemtic Name: [(2S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]methanol Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCCCC3CO)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCCC[C@H]3CO)C4=CC=CC=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-29-20-10-11-21(22(24)13-20)23-17(14-26-12-6-5-9-19(26)16-28)15-27(25-23)18-7-3-2-4-8-18/h2-4,7-8,10-11,13,15,19,28H,5-6,9,12,14,16H2,1H3/p+1/t19-/m0/s1