methyl (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylate chloride

Systemtic Name: methyl (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylate chloride Openeye Name: methyl (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylate chloride CAS Name: (2S,3S)-3-phenyl-2-pyrrolidin-1-iumcarboxylic acid methyl ester chloride IUPAC Name: methyl (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylate chloride Traditional Name: (2S,3S)-3-phenylpyrrolidin-1-ium-2-carboxylic acid methyl ester chloride Formula: C12H16ClNO2 MolecularWeight: 241.71394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC[NH2+]1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2.ClH/c1-15-12(14)11-10(7-8-13-11)9-5-3-2-4-6-9;/h2-6,10-11,13H,7-8H2,1H3;1H/t10-,11-;/m0./s1