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

Systemtic Name: [2-(4-azanyl-3-cyano-5-fluoranyl-phenyl)-2-oxidanyl-ethyl]-tert-butyl-azanium chloride Openeye Name: [2-(4-amino-3-cyano-5-fluoro-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium chloride CAS Name: [2-(4-amino-3-cyano-5-fluorophenyl)-2-hydroxyethyl]-tert-butylammonium chloride IUPAC Name: [2-(4-amino-3-cyano-5-fluorophenyl)-2-hydroxyethyl]-tert-butylazanium chloride Traditional Name: [2-(4-amino-3-cyano-5-fluoro-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium chloride Formula: C13H19ClFN3O MolecularWeight: 287.760863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18FN3O.ClH/c1-13(2,3)17-7-11(18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,17-18H,7,16H2,1-3H3;1H