(2S)-2-(diethylazaniumyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate

Systemtic Name: (2S)-2-(diethylazaniumyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanoate Openeye Name: (2S)-2-(diethylammonio)-2-(1,3,5-trimethylpyrazol-4-yl)acetate CAS Name: (2S)-2-(diethylammonio)-2-(1,3,5-trimethyl-4-pyrazolyl)acetate IUPAC Name: (2S)-2-(diethylazaniumyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetate Traditional Name: (2S)-2-(diethylammonio)-2-(1,3,5-trimethylpyrazol-4-yl)acetate Formula: C12H21N3O2 MolecularWeight: 239.31404

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=C(N(N=C1C)C)C)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)[C@@H](C1=C(N(N=C1C)C)C)C(=O)[O-]

InChI

InChI=1S/C12H21N3O2/c1-6-15(7-2)11(12(16)17)10-8(3)13-14(5)9(10)4/h11H,6-7H2,1-5H3,(H,16,17)/t11-/m0/s1