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

Systemtic Name: [(2S)-1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-pyrrolidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]methanol 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+]3CCCC3CO)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C=C2C[NH+]3CCC[C@H]3CO)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(25)15-27)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