2-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]ethanoate Openeye Name: 2-[(2R)-2-(3-ethyl-5-methyl-isoxazol-4-yl)pyrrolidin-1-ium-1-yl]acetate CAS Name: 2-[(2R)-2-(3-ethyl-5-methyl-4-isoxazolyl)-1-pyrrolidin-1-iumyl]acetate IUPAC Name: 2-[(2R)-2-(3-ethyl-5-methyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]acetate Traditional Name: 2-[(2R)-2-(3-ethyl-5-methyl-isoxazol-4-yl)pyrrolidin-1-ium-1-yl]acetate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1C2CCC[NH+]2CC(=O)[O-])C

Isomeric SMILES

CCC1=NOC(=C1[C@H]2CCC[NH+]2CC(=O)[O-])C

InChI

InChI=1S/C12H18N2O3/c1-3-9-12(8(2)17-13-9)10-5-4-6-14(10)7-11(15)16/h10H,3-7H2,1-2H3,(H,15,16)/t10-/m1/s1