1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone

Systemtic Name: 1-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-pyridin-1-ium-1-yl-ethanone Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2/c1-20(2,3)16-12-15(13-17(19(16)24)21(4,5)6)18(23)14-22-10-8-7-9-11-22/h7-13H,14H2,1-6H3/p+1