methyl (2S,3S)-2-(2,4-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate

Systemtic Name: methyl (2S,3S)-2-(2,4-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate Openeye Name: methyl (2S,3S)-2-(2,4-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate CAS Name: (2S,3S)-2-(2,4-dichlorophenyl)-3-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,3S)-2-(2,4-dichlorophenyl)pyrrolidin-1-ium-3-carboxylate Traditional Name: (2S,3S)-2-(2,4-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=C(C=C2)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO2/c1-17-12(16)9-4-5-15-11(9)8-3-2-7(13)6-10(8)14/h2-3,6,9,11,15H,4-5H2,1H3/p+1/t9-,11+/m0/s1