7-bromanyl-3-ethyl-1-oxidanyl-4H-2,4,1-benzodiazaborinin-2-ium chloride

Systemtic Name: 7-bromanyl-3-ethyl-1-oxidanyl-4H-2,4,1-benzodiazaborinin-2-ium chloride Openeye Name: 7-bromo-3-ethyl-1-hydroxy-4H-2,4,1-benzodiazaborinin-2-ium chloride CAS Name: 7-bromo-3-ethyl-1-hydroxy-4H-2,4,1-benzodiazaborin-2-ium chloride IUPAC Name: 7-bromo-3-ethyl-1-hydroxy-4H-2,4,1-benzodiazaborinin-2-ium chloride Traditional Name: 7-bromo-3-ethyl-1-hydroxy-4H-2,4,1-benzodiazaborin-2-ium chloride Formula: C9H11BBrClN2O MolecularWeight: 289.36444

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=CC(=C2)Br)NC(=[NH+]1)CC)O.[Cl-]

Isomeric SMILES

B1(C2=C(C=CC(=C2)Br)NC(=[NH+]1)CC)O.[Cl-]

InChI

InChI=1S/C9H10BBrN2O.ClH/c1-2-9-12-8-4-3-6(11)5-7(8)10(14)13-9;/h3-5,14H,2H2,1H3,(H,12,13);1H