(2R)-2-[(4-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-2-[(4-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-2-[(4-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-2-[(4-bromophenyl)methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-2-[(4-bromophenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-2-(4-bromobenzyl)pyrrolidin-1-ium-2-carboxylate Formula: C12H14BrNO2 MolecularWeight: 284.14906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrNO2/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12/h2-5,14H,1,6-8H2,(H,15,16)/t12-/m1/s1