3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(2,5-dimethyl-3-pyrazolyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(2,5-dimethylpyrazol-3-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C12H19N3O2 MolecularWeight: 237.29816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C2CCC[NH+]2CCC(=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1)[C@H]2CCC[NH+]2CCC(=O)[O-])C

InChI

InChI=1S/C12H19N3O2/c1-9-8-11(14(2)13-9)10-4-3-6-15(10)7-5-12(16)17/h8,10H,3-7H2,1-2H3,(H,16,17)/t10-/m1/s1