(5-chloranyl-2-oxidanyl-phenyl)methyl-(2,3-dimethylbutan-2-yl)azanium chloride

Systemtic Name: (5-chloranyl-2-oxidanyl-phenyl)methyl-(2,3-dimethylbutan-2-yl)azanium chloride Openeye Name: (5-chloro-2-hydroxy-phenyl)methyl-(1,1,2-trimethylpropyl)ammonium chloride CAS Name: (5-chloro-2-hydroxyphenyl)methyl-(2,3-dimethylbutan-2-yl)ammonium chloride IUPAC Name: (5-chloro-2-hydroxyphenyl)methyl-(2,3-dimethylbutan-2-yl)azanium chloride Traditional Name: (5-chloro-2-hydroxy-benzyl)-thexyl-ammonium chloride Formula: C13H21Cl2NO MolecularWeight: 278.21794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)[NH2+]CC1=C(C=CC(=C1)Cl)O.[Cl-]

Isomeric SMILES

CC(C)C(C)(C)[NH2+]CC1=C(C=CC(=C1)Cl)O.[Cl-]

InChI

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