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

Systemtic Name: (3S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-3-ol Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCCC(C3)O)C4=CC=CC=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O2/c1-28-19-9-10-20(21(23)12-19)22-16(13-25-11-5-8-18(27)15-25)14-26(24-22)17-6-3-2-4-7-17/h2-4,6-7,9-10,12,14,18,27H,5,8,11,13,15H2,1H3/p+1/t18-/m0/s1