(3R)-3-azaniumyl-3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: (3R)-3-azaniumyl-3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: (3R)-3-azaniumyl-3-(1-phenylpyrazol-4-yl)propanoate CAS Name: (3R)-3-ammonio-3-(1-phenyl-4-pyrazolyl)propanoate IUPAC Name: (3R)-3-azaniumyl-3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: (3R)-3-ammonio-3-(1-phenylpyrazol-4-yl)propionate Formula: C12H13N3O2 MolecularWeight: 231.25052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(CC(=O)[O-])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)[C@@H](CC(=O)[O-])[NH3+]

InChI

InChI=1S/C12H13N3O2/c13-11(6-12(16)17)9-7-14-15(8-9)10-4-2-1-3-5-10/h1-5,7-8,11H,6,13H2,(H,16,17)/t11-/m1/s1