5-(2-fluoranyl-4-methoxy-phenyl)-4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole

Systemtic Name: 5-(2-fluoranyl-4-methoxy-phenyl)-4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Openeye Name: 5-(2-fluoro-4-methoxy-phenyl)-4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole CAS Name: 5-(2-fluoro-4-methoxyphenyl)-4-[[(2S)-2-(2-methoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1H-pyrazole IUPAC Name: 5-(2-fluoro-4-methoxyphenyl)-4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Traditional Name: 5-(2-fluoro-4-methoxy-phenyl)-4-[[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-pyrazole Formula: C22H25FN3O2+ MolecularWeight: 382.451203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC3C4=CC=CC=C4OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@H]3C4=CC=CC=C4OC)F

InChI

InChI=1S/C22H24FN3O2/c1-27-16-9-10-17(19(23)12-16)22-15(13-24-25-22)14-26-11-5-7-20(26)18-6-3-4-8-21(18)28-2/h3-4,6,8-10,12-13,20H,5,7,11,14H2,1-2H3,(H,24,25)/p+1/t20-/m0/s1