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

Systemtic Name: 3-[(2S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Openeye Name: 3-[(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol CAS Name: 3-[(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Traditional Name: 3-[(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]propan-1-ol Formula: C25H31FN3O2+ MolecularWeight: 424.530943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCCCC3CCCO)C4=CC=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O2/c1-31-22-12-13-23(24(26)16-22)25-19(18-29(27-25)21-9-3-2-4-10-21)17-28-14-6-5-8-20(28)11-7-15-30/h2-4,9-10,12-13,16,18,20,30H,5-8,11,14-15,17H2,1H3/p+1/t20-/m0/s1