1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-morpholin-4-ium-4-yl-ethanone bromide

Systemtic Name: 1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-morpholin-4-ium-4-yl-ethanone bromide Openeye Name: 1-(3,5-dibromo-2-hydroxy-phenyl)-2-morpholin-4-ium-4-yl-ethanone bromide CAS Name: 1-(3,5-dibromo-2-hydroxyphenyl)-2-(4-morpholin-4-iumyl)ethanone bromide IUPAC Name: 1-(3,5-dibromo-2-hydroxyphenyl)-2-morpholin-4-ium-4-ylethanone bromide Traditional Name: 1-(3,5-dibromo-2-hydroxy-phenyl)-2-morpholin-4-ium-4-yl-ethanone bromide Formula: C12H14Br3NO3 MolecularWeight: 459.95646

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)C2=CC(=CC(=C2O)Br)Br.[Br-]

Isomeric SMILES

C1COCC[NH+]1CC(=O)C2=CC(=CC(=C2O)Br)Br.[Br-]

InChI

InChI=1S/C12H13Br2NO3.BrH/c13-8-5-9(12(17)10(14)6-8)11(16)7-15-1-3-18-4-2-15;/h5-6,17H,1-4,7H2;1H