2-[4-(azaniumylmethyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-(azaniumylmethyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(azaniumylmethyl)-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-(ammoniomethyl)-3,5-dimethyl-1-pyrazolyl]acetate IUPAC Name: 2-[4-(azaniumylmethyl)-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-(ammoniomethyl)-3,5-dimethyl-pyrazol-1-yl]acetate Formula: C8H13N3O2 MolecularWeight: 183.20772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)[O-])C)C[NH3+]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)[O-])C)C[NH3+]

InChI

InChI=1S/C8H13N3O2/c1-5-7(3-9)6(2)11(10-5)4-8(12)13/h3-4,9H2,1-2H3,(H,12,13)