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

Systemtic Name: (2R)-2-azaniumyl-2-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]ethanoate Openeye Name: (2R)-2-azaniumyl-2-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]acetate CAS Name: (2R)-2-ammonio-2-[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]acetate IUPAC Name: (2R)-2-azaniumyl-2-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetate Traditional Name: (2R)-2-ammonio-2-[1-(4-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]acetate Formula: C14H16ClN3O2 MolecularWeight: 293.74874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Cl)C)[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C14H16ClN3O2/c1-8-12(13(16)14(19)20)9(2)18(17-8)7-10-3-5-11(15)6-4-10/h3-6,13H,7,16H2,1-2H3,(H,19,20)/t13-/m1/s1