2-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-(2-ethyl-5-methyl-3-pyrazolyl)-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-(2-ethyl-5-methylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-(2-ethyl-5-methyl-pyrazol-3-yl)pyrrolidin-1-ium-1-yl]acetate Formula: C12H19N3O2 MolecularWeight: 237.29816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C2CCC[NH+]2CC(=O)[O-]

Isomeric SMILES

CCN1C(=CC(=N1)C)[C@H]2CCC[NH+]2CC(=O)[O-]

InChI

InChI=1S/C12H19N3O2/c1-3-15-11(7-9(2)13-15)10-5-4-6-14(10)8-12(16)17/h7,10H,3-6,8H2,1-2H3,(H,16,17)/t10-/m1/s1