methyl (2S)-1-[(5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(5-butyl-2-oxidanidyl-4,5-dihydro-1,2-oxazol-2-ium-3-yl)carbonyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-(5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-carbonyl)pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(5-butyl-2-oxido-4,5-dihydroisoxazol-2-ium-3-yl)-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-(5-butyl-2-oxido-4,5-dihydro-1,2-oxazol-2-ium-3-carbonyl)pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(5-butyl-2-oxido-2-isoxazolin-2-ium-3-carbonyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C14H22N2O5 MolecularWeight: 298.33488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=[N+](O1)[O-])C(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CCCCC1CC(=[N+](O1)[O-])C(=O)N2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C14H22N2O5/c1-3-4-6-10-9-12(16(19)21-10)13(17)15-8-5-7-11(15)14(18)20-2/h10-11H,3-9H2,1-2H3/t10?,11-/m0/s1