3-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate

Systemtic Name: 3-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate Openeye Name: 3-[(2R)-2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate CAS Name: 3-[(2R)-2-(3,5-dimethyl-4-isoxazolyl)-1-pyrrolidin-1-iumyl]propanoate IUPAC Name: 3-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-ium-1-yl]propanoate Traditional Name: 3-[(2R)-2-(3,5-dimethylisoxazol-4-yl)pyrrolidin-1-ium-1-yl]propionate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C2CCC[NH+]2CCC(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)[C@H]2CCC[NH+]2CCC(=O)[O-]

InChI

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