2-[(2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-[2-(2-methylpropyl)-3-pyrazolyl]-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-(2-isobutylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]acetate Formula: C13H21N3O2 MolecularWeight: 251.32474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC=N1)C2CCC[NH+]2CC(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=CC=N1)[C@H]2CCC[NH+]2CC(=O)[O-]

InChI

InChI=1S/C13H21N3O2/c1-10(2)8-16-12(5-6-14-16)11-4-3-7-15(11)9-13(17)18/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,17,18)/t11-/m1/s1