[(3,5-ditert-butyl-4-oxidanyl-phenyl)-methylsulfanyl-methylidene]-methyl-azanium iodide

Systemtic Name: [(3,5-ditert-butyl-4-oxidanyl-phenyl)-methylsulfanyl-methylidene]-methyl-azanium iodide Openeye Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-methylsulfanyl-methylene]-methyl-ammonium iodide CAS Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-(methylthio)methylidene]-methylammonium iodide IUPAC Name: [(3,5-ditert-butyl-4-hydroxyphenyl)-methylsulfanylmethylidene]-methylazanium iodide Traditional Name: [(3,5-ditert-butyl-4-hydroxy-phenyl)-(methylthio)methylene]-methyl-ammonium iodide Formula: C17H28INOS MolecularWeight: 421.37979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=[NH+]C)SC.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=[NH+]C)SC.[I-]

InChI

InChI=1S/C17H27NOS.HI/c1-16(2,3)12-9-11(15(18-7)20-8)10-13(14(12)19)17(4,5)6;/h9-10,19H,1-8H3;1H