2-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-(5-propan-2-yl-3-isoxazolyl)-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-(5-isopropylisoxazol-3-yl)pyrrolidin-1-ium-1-yl]acetate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NO1)C2CCC[NH+]2CC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=NO1)[C@H]2CCC[NH+]2CC(=O)[O-]

InChI

InChI=1S/C12H18N2O3/c1-8(2)11-6-9(13-17-11)10-4-3-5-14(10)7-12(15)16/h6,8,10H,3-5,7H2,1-2H3,(H,15,16)/t10-/m1/s1