(3S)-3-azaniumyl-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoate

Systemtic Name: (3S)-3-azaniumyl-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoate Openeye Name: (3S)-3-azaniumyl-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoate CAS Name: (3S)-3-ammonio-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoate IUPAC Name: (3S)-3-azaniumyl-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propanoate Traditional Name: (3S)-3-ammonio-3-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]propionate Formula: C12H12FN3O2 MolecularWeight: 249.240983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=NN2)C(CC(=O)[O-])[NH3+])F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=NN2)[C@H](CC(=O)[O-])[NH3+])F

InChI

InChI=1S/C12H12FN3O2/c13-8-3-1-7(2-4-8)12-9(6-15-16-12)10(14)5-11(17)18/h1-4,6,10H,5,14H2,(H,15,16)(H,17,18)/t10-/m0/s1