methyl (4S,5S)-3-hexyl-4-methyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-5-carboxylate

Systemtic Name: methyl (4S,5S)-3-hexyl-4-methyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-5-carboxylate Openeye Name: methyl (4S,5S)-3-hexyl-4-methyl-2-oxido-4,5-dihydroisoxazol-2-ium-5-carboxylate CAS Name: (4S,5S)-3-hexyl-4-methyl-2-oxido-4,5-dihydroisoxazol-2-ium-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S)-3-hexyl-4-methyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-5-carboxylate Traditional Name: (4S,5S)-3-hexyl-4-methyl-2-oxido-2-isoxazolin-2-ium-5-carboxylic acid methyl ester Formula: C12H21NO4 MolecularWeight: 243.29944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=[N+](OC(C1C)C(=O)OC)[O-]

Isomeric SMILES

CCCCCCC1=[N+](O[C@@H]([C@H]1C)C(=O)OC)[O-]

InChI

InChI=1S/C12H21NO4/c1-4-5-6-7-8-10-9(2)11(12(14)16-3)17-13(10)15/h9,11H,4-8H2,1-3H3/t9-,11-/m0/s1