methyl (2R)-2-phenyl-2-[(2S)-pyrrolidin-1-ium-2-yl]ethanoate chloride

Systemtic Name: methyl (2R)-2-phenyl-2-[(2S)-pyrrolidin-1-ium-2-yl]ethanoate chloride Openeye Name: methyl (2R)-2-phenyl-2-[(2S)-pyrrolidin-1-ium-2-yl]acetate chloride CAS Name: (2R)-2-phenyl-2-[(2S)-2-pyrrolidin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl (2R)-2-phenyl-2-[(2S)-pyrrolidin-1-ium-2-yl]acetate chloride Traditional Name: (2R)-2-phenyl-2-[(2S)-pyrrolidin-1-ium-2-yl]acetic acid methyl ester chloride Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCC[NH2+]1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2.ClH/c1-16-13(15)12(11-8-5-9-14-11)10-6-3-2-4-7-10;/h2-4,6-7,11-12,14H,5,8-9H2,1H3;1H/t11-,12+;/m0./s1