(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2S)-1-[(3-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2S)-1-[(3-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[(3-bromophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2S)-1-[(3-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-(3-bromobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC(=CC=C2)Br)C(=O)[O-]

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC(=CC=C2)Br)C(=O)[O-]

InChI

InChI=1S/C12H14BrNO2/c13-10-4-1-3-9(7-10)8-14-6-2-5-11(14)12(15)16/h1,3-4,7,11H,2,5-6,8H2,(H,15,16)/t11-/m0/s1