1-(3-methoxy-4-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(3-methoxy-4-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(4-hydroxy-3-methoxy-phenyl)-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(4-hydroxy-3-methoxyphenyl)-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(4-hydroxy-3-methoxy-phenyl)-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C14H14BrNO3 MolecularWeight: 324.16986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C[N+]2=CC=CC=C2)O.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)C[N+]2=CC=CC=C2)O.[Br-]

InChI

InChI=1S/C14H13NO3.BrH/c1-18-14-9-11(5-6-12(14)16)13(17)10-15-7-3-2-4-8-15;/h2-9H,10H2,1H3;1H