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

Systemtic Name: 3-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(3-ethylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(3-ethyl-5-isoxazolyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(3-ethylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(=C1)C2CCC[NH+]2CCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-2-9-8-11(17-13-9)10-4-3-6-14(10)7-5-12(15)16/h8,10H,2-7H2,1H3,(H,15,16)/t10-/m1/s1