(2R)-2-azaniumyl-2-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanoate

Systemtic Name: (2R)-2-azaniumyl-2-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]ethanoate Openeye Name: (2R)-2-azaniumyl-2-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]acetate CAS Name: (2R)-2-ammonio-2-[1-(3-chlorophenyl)-3,5-dimethyl-4-pyrazolyl]acetate IUPAC Name: (2R)-2-azaniumyl-2-[1-(3-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate Traditional Name: (2R)-2-ammonio-2-[1-(3-chlorophenyl)-3,5-dimethyl-pyrazol-4-yl]acetate Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=CC=C2)Cl)C)[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H14ClN3O2/c1-7-11(12(15)13(18)19)8(2)17(16-7)10-5-3-4-9(14)6-10/h3-6,12H,15H2,1-2H3,(H,18,19)/t12-/m1/s1