[2-(4-azanyl-3-bromanyl-5-fluoranyl-phenyl)-2-oxidanyl-ethyl]-tert-butyl-azanium chloride

Systemtic Name: [2-(4-azanyl-3-bromanyl-5-fluoranyl-phenyl)-2-oxidanyl-ethyl]-tert-butyl-azanium chloride Openeye Name: [2-(4-amino-3-bromo-5-fluoro-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium chloride CAS Name: [2-(4-amino-3-bromo-5-fluorophenyl)-2-hydroxyethyl]-tert-butylammonium chloride IUPAC Name: [2-(4-amino-3-bromo-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride Traditional Name: [2-(4-amino-3-bromo-5-fluoro-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium chloride Formula: C12H19BrClFN2O MolecularWeight: 341.647463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Br)N)F)O.[Cl-]

Isomeric SMILES

CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Br)N)F)O.[Cl-]

InChI

InChI=1S/C12H18BrFN2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H