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

Systemtic Name: 3-[(2R)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(5-propylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(5-propyl-3-isoxazolyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(5-propylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C13H20N2O3 MolecularWeight: 252.3095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NO1)C2CCC[NH+]2CCC(=O)[O-]

Isomeric SMILES

CCCC1=CC(=NO1)[C@H]2CCC[NH+]2CCC(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-2-4-10-9-11(14-18-10)12-5-3-7-15(12)8-6-13(16)17/h9,12H,2-8H2,1H3,(H,16,17)/t12-/m1/s1