tert-butyl-[2-(4-chlorophenyl)-2-oxidanyl-propyl]azanium chloride

Systemtic Name: tert-butyl-[2-(4-chlorophenyl)-2-oxidanyl-propyl]azanium chloride Openeye Name: tert-butyl-[2-(4-chlorophenyl)-2-hydroxy-propyl]ammonium chloride CAS Name: tert-butyl-[2-(4-chlorophenyl)-2-hydroxypropyl]ammonium chloride IUPAC Name: tert-butyl-[2-(4-chlorophenyl)-2-hydroxypropyl]azanium chloride Traditional Name: tert-butyl-[2-(4-chlorophenyl)-2-hydroxy-propyl]ammonium chloride Formula: C13H21Cl2NO MolecularWeight: 278.21794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20ClNO.ClH/c1-12(2,3)15-9-13(4,16)10-5-7-11(14)8-6-10;/h5-8,15-16H,9H2,1-4H3;1H