methyl (2R)-2-(4-bromophenyl)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethanoate chloride

Systemtic Name: methyl (2R)-2-(4-bromophenyl)-2-[(2S)-pyrrolidin-1-ium-2-yl]ethanoate chloride Openeye Name: methyl (2R)-2-(4-bromophenyl)-2-[(2S)-pyrrolidin-1-ium-2-yl]acetate chloride CAS Name: (2R)-2-(4-bromophenyl)-2-[(2S)-2-pyrrolidin-1-iumyl]acetic acid methyl ester chloride IUPAC Name: methyl (2R)-2-(4-bromophenyl)-2-[(2S)-pyrrolidin-1-ium-2-yl]acetate chloride Traditional Name: (2R)-2-(4-bromophenyl)-2-[(2S)-pyrrolidin-1-ium-2-yl]acetic acid methyl ester chloride Formula: C13H17BrClNO2 MolecularWeight: 334.63658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO2.ClH/c1-17-13(16)12(11-3-2-8-15-11)9-4-6-10(14)7-5-9;/h4-7,11-12,15H,2-3,8H2,1H3;1H/t11-,12+;/m0./s1