methyl (2S,3R)-2-[2,6-bis(chloranyl)phenyl]pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (2S,3R)-2-[2,6-bis(chloranyl)phenyl]pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (2S,3R)-2-(2,6-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3R)-2-(2,6-dichlorophenyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,3R)-2-(2,6-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3R)-2-(2,6-dichlorophenyl)pyrrolidin-1-ium-3-carboxylic acid methyl ester Formula: C12H14Cl2NO2+ MolecularWeight: 275.15106

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH2+]C1C2=C(C=CC=C2Cl)Cl

Isomeric SMILES

COC(=O)[C@@H]1CC[NH2+][C@@H]1C2=C(C=CC=C2Cl)Cl

InChI

InChI=1S/C12H13Cl2NO2/c1-17-12(16)7-5-6-15-11(7)10-8(13)3-2-4-9(10)14/h2-4,7,11,15H,5-6H2,1H3/p+1/t7-,11+/m1/s1