3-oxidanyl-3-phenyl-2-pyridin-1-ium-1-yl-propanoic acid bromide

Systemtic Name: 3-oxidanyl-3-phenyl-2-pyridin-1-ium-1-yl-propanoic acid bromide Openeye Name: 3-hydroxy-3-phenyl-2-pyridin-1-ium-1-yl-propanoic acid bromide CAS Name: 3-hydroxy-3-phenyl-2-(1-pyridin-1-iumyl)propanoic acid bromide IUPAC Name: 3-hydroxy-3-phenyl-2-pyridin-1-ium-1-ylpropanoic acid bromide Traditional Name: 3-hydroxy-3-phenyl-2-pyridin-1-ium-1-yl-propionic acid bromide Formula: C14H14BrNO3 MolecularWeight: 324.16986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(C(=O)O)[N+]2=CC=CC=C2)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(C(=O)O)[N+]2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C14H13NO3.BrH/c16-13(11-7-3-1-4-8-11)12(14(17)18)15-9-5-2-6-10-15;/h1-10,12-13,16H;1H