methyl (2S,3S,4R,5R)-5-methyl-3,4-bis(oxidanyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,3S,4R,5R)-5-methyl-3,4-bis(oxidanyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,3S,4R,5R)-3,4-dihydroxy-5-methyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,3S,4R,5R)-3,4-dihydroxy-5-methyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C7H14NO4+ MolecularWeight: 176.19036

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C([NH2+]1)C(=O)OC)O)O

Isomeric SMILES

C[C@@H]1[C@H]([C@H]([C@H]([NH2+]1)C(=O)OC)O)O

InChI

InChI=1S/C7H13NO4/c1-3-5(9)6(10)4(8-3)7(11)12-2/h3-6,8-10H,1-2H3/p+1/t3-,4+,5-,6+/m1/s1