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

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO2/c1-17-12(16)8-4-5-15-11(8)7-2-3-9(13)10(14)6-7/h2-3,6,8,11,15H,4-5H2,1H3/p+1/t8-,11+/m0/s1