methyl (2S,4R)-4-(2-methyl-5-oxidanyl-pentan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: methyl (2S,4R)-4-(2-methyl-5-oxidanyl-pentan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride Openeye Name: methyl (2S,4R)-4-(4-hydroxy-1,1-dimethyl-butoxy)pyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2S,4R)-4-(5-hydroxy-2-methylpentan-2-yl)oxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (2S,4R)-4-(5-hydroxy-2-methylpentan-2-yl)oxypyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2S,4R)-4-(4-hydroxy-1,1-dimethyl-butoxy)pyrrolidin-1-ium-2-carboxylic acid methyl ester chloride Formula: C12H24ClNO4 MolecularWeight: 281.77626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCO)OC1CC([NH2+]C1)C(=O)OC.[Cl-]

Isomeric SMILES

CC(C)(CCCO)O[C@@H]1C[C@H]([NH2+]C1)C(=O)OC.[Cl-]

InChI

InChI=1S/C12H23NO4.ClH/c1-12(2,5-4-6-14)17-9-7-10(13-8-9)11(15)16-3;/h9-10,13-14H,4-8H2,1-3H3;1H/t9-,10+;/m1./s1