phenyl (2R,3R)-3-(5-bromanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-3-oxidanyl-2-phenylmethoxy-propanoate

Systemtic Name: phenyl (2R,3R)-3-(5-bromanyl-1-oxidanidyl-pyridin-1-ium-2-yl)-3-oxidanyl-2-phenylmethoxy-propanoate Openeye Name: phenyl (2R,3R)-2-benzyloxy-3-(5-bromo-1-oxido-pyridin-1-ium-2-yl)-3-hydroxy-propanoate CAS Name: (2R,3R)-3-(5-bromo-1-oxido-2-pyridin-1-iumyl)-3-hydroxy-2-phenylmethoxypropanoic acid phenyl ester IUPAC Name: phenyl (2R,3R)-3-(5-bromo-1-oxidopyridin-1-ium-2-yl)-3-hydroxy-2-phenylmethoxypropanoate Traditional Name: (2R,3R)-2-benzoxy-3-(5-bromo-1-oxido-pyridin-1-ium-2-yl)-3-hydroxy-propionic acid phenyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C(C2=[N+](C=C(C=C2)Br)[O-])O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CO[C@H]([C@@H](C2=[N+](C=C(C=C2)Br)[O-])O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO5/c22-16-11-12-18(23(26)13-16)19(24)20(27-14-15-7-3-1-4-8-15)21(25)28-17-9-5-2-6-10-17/h1-13,19-20,24H,14H2/t19-,20-/m1/s1