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

Systemtic Name: methyl (2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(4-chlorophenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(4-chlorobenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C13H17ClNO2+ MolecularWeight: 254.73258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)[C@@H]1CCC[NH+]1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClNO2/c1-17-13(16)12-3-2-8-15(12)9-10-4-6-11(14)7-5-10/h4-7,12H,2-3,8-9H2,1H3/p+1/t12-/m0/s1