(2R)-1-[[3-[2-(4-bromanylphenoxy)ethanoyl]-2-oxidanidyl-6-oxidanyl-phenyl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: (2R)-1-[[3-[2-(4-bromanylphenoxy)ethanoyl]-2-oxidanidyl-6-oxidanyl-phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: (2R)-1-[[3-[2-(4-bromophenoxy)acetyl]-6-hydroxy-2-oxido-phenyl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-[2-(4-bromophenoxy)-1-oxoethyl]-6-hydroxy-2-oxidophenyl]methyl]-2-pyrrolidin-1-iumcarboxylate IUPAC Name: (2R)-1-[[3-[2-(4-bromophenoxy)acetyl]-6-hydroxy-2-oxidophenyl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[3-[2-(4-bromophenoxy)acetyl]-6-hydroxy-2-oxido-benzyl]pyrrolidin-1-ium-2-carboxylate Formula: C20H19BrNO6- MolecularWeight: 449.27196

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=C(C=CC(=C2[O-])C(=O)COC3=CC=C(C=C3)Br)O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=C(C=CC(=C2[O-])C(=O)COC3=CC=C(C=C3)Br)O)C(=O)[O-]

InChI

InChI=1S/C20H20BrNO6/c21-12-3-5-13(6-4-12)28-11-18(24)14-7-8-17(23)15(19(14)25)10-22-9-1-2-16(22)20(26)27/h3-8,16,23,25H,1-2,9-11H2,(H,26,27)/p-1/t16-/m1/s1