methyl (2S,4R)-4-oxidanyl-1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-oxidanyl-1-[(2-oxidanylidene-1,3-benzoxazol-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-hydroxy-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-hydroxy-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-hydroxy-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-hydroxy-1-[(2-keto-1,3-benzoxazol-3-yl)methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C14H17N2O5+ MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CN2C3=CC=CC=C3OC2=O)O

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH+]1CN2C3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C14H16N2O5/c1-20-13(18)11-6-9(17)7-15(11)8-16-10-4-2-3-5-12(10)21-14(16)19/h2-5,9,11,17H,6-8H2,1H3/p+1/t9-,11+/m1/s1