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

Systemtic Name: ethyl (4R,5S)-5-[(3S)-3-methylpentyl]-2-oxidanidyl-4-oxidanyl-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Openeye Name: ethyl (4R,5S)-4-hydroxy-5-[(3S)-3-methylpentyl]-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylate CAS Name: (4R,5S)-4-hydroxy-5-[(3S)-3-methylpentyl]-2-oxido-4,5-dihydroisoxazol-2-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-4-hydroxy-5-[(3S)-3-methylpentyl]-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carboxylate Traditional Name: (4R,5S)-4-hydroxy-5-[(3S)-3-methylpentyl]-2-oxido-2-isoxazolin-2-ium-3-carboxylic acid ethyl ester Formula: C12H21NO5 MolecularWeight: 259.29884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1C(C(=[N+](O1)[O-])C(=O)OCC)O

Isomeric SMILES

CC[C@H](C)CC[C@H]1[C@@H](C(=[N+](O1)[O-])C(=O)OCC)O

InChI

InChI=1S/C12H21NO5/c1-4-8(3)6-7-9-11(14)10(13(16)18-9)12(15)17-5-2/h8-9,11,14H,4-7H2,1-3H3/t8-,9-,11-/m0/s1