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

Systemtic Name: 3-[(3R)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Openeye Name: 3-[(3R)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol CAS Name: 3-[(3R)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumyl]-1-propanol IUPAC Name: 3-[(3R)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-yl]propan-1-ol Traditional Name: 3-[(3R)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-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+]3CCCC(C3)CCCO)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC[C@@H](C3)CCCO)C4=CC=CC=C4)F

InChI

InChI=1S/C25H30FN3O2/c1-31-22-11-12-23(24(26)15-22)25-20(18-29(27-25)21-9-3-2-4-10-21)17-28-13-5-7-19(16-28)8-6-14-30/h2-4,9-12,15,18-19,30H,5-8,13-14,16-17H2,1H3/p+1/t19-/m1/s1