(3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-methylpyridin-1-ium-2-yl)methanone iodide

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-(1-methylpyridin-1-ium-2-yl)methanone iodide Openeye Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-methylpyridin-1-ium-2-yl)methanone iodide CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-methyl-2-pyridin-1-iumyl)methanone iodide IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)-(1-methylpyridin-1-ium-2-yl)methanone iodide Traditional Name: (3,5-ditert-butyl-4-hydroxy-phenyl)-(1-methylpyridin-1-ium-2-yl)methanone iodide Formula: C21H28INO2 MolecularWeight: 453.35699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C21H27NO2.HI/c1-20(2,3)15-12-14(13-16(19(15)24)21(4,5)6)18(23)17-10-8-9-11-22(17)7;/h8-13H,1-7H3;1H