ethyl (4R,5S)-5-(cyclohexylmethyl)-2-oxidanidyl-4-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate

Systemtic Name: ethyl (4R,5S)-5-(cyclohexylmethyl)-2-oxidanidyl-4-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl (4R,5S)-5-(cyclohexylmethyl)-4-hydroxy-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: (4R,5S)-5-(cyclohexylmethyl)-4-hydroxy-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-5-(cyclohexylmethyl)-4-hydroxy-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: (4R,5S)-5-(cyclohexylmethyl)-4-hydroxy-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C13H21NO5 MolecularWeight: 271.30954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=[N+](OC(C1O)CC2CCCCC2)[O-]

Isomeric SMILES

CCOC(=O)C1=[N+](O[C@H]([C@@H]1O)CC2CCCCC2)[O-]

InChI

InChI=1S/C13H21NO5/c1-2-18-13(16)11-12(15)10(19-14(11)17)8-9-6-4-3-5-7-9/h9-10,12,15H,2-8H2,1H3/t10-,12-/m0/s1