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

Systemtic Name: 2-[4-(2-azaniumylethyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(2-azaniumylethyl)-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-(2-ammonioethyl)-3,5-dimethyl-1-pyrazolyl]acetate IUPAC Name: 2-[4-(2-azaniumylethyl)-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-(2-ammonioethyl)-3,5-dimethyl-pyrazol-1-yl]acetate Formula: C9H15N3O2 MolecularWeight: 197.2343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15N3O2/c1-6-8(3-4-10)7(2)12(11-6)5-9(13)14/h3-5,10H2,1-2H3,(H,13,14)