methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate chloride Openeye Name: methyl (2S,4R)-4-benzyloxypyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2S,4R)-4-phenylmethoxy-2-pyrrolidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (2S,4R)-4-phenylmethoxypyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2S,4R)-4-benzoxypyrrolidin-1-ium-2-carboxylic acid methyl ester chloride Formula: C13H18ClNO3 MolecularWeight: 271.73992

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH2+]1)OCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](C[NH2+]1)OCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C13H17NO3.ClH/c1-16-13(15)12-7-11(8-14-12)17-9-10-5-3-2-4-6-10;/h2-6,11-12,14H,7-9H2,1H3;1H/t11-,12+;/m1./s1