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

Systemtic Name: (2S)-2-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-2-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-2-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-2-[(2,4-dichlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-2-(2,4-dichlorobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H13Cl2NO2 MolecularWeight: 274.14312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)(CC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@]([NH2+]C1)(CC2=C(C=C(C=C2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C12H13Cl2NO2/c13-9-3-2-8(10(14)6-9)7-12(11(16)17)4-1-5-15-12/h2-3,6,15H,1,4-5,7H2,(H,16,17)/t12-/m0/s1