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

Systemtic Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-(3-ammoniopropyl)-3,5-dimethyl-1-pyrazolyl]acetate IUPAC Name: 2-[4-(3-azaniumylpropyl)-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-(3-ammoniopropyl)-3,5-dimethyl-pyrazol-1-yl]acetate Formula: C10H17N3O2 MolecularWeight: 211.26088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H17N3O2/c1-7-9(4-3-5-11)8(2)13(12-7)6-10(14)15/h3-6,11H2,1-2H3,(H,14,15)