1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pyridazin-1-ium-3,6-dione

Systemtic Name: 1-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]pyridazin-1-ium-3,6-dione Openeye Name: 1-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]pyridazin-1-ium-3,6-dione CAS Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pyridazin-1-ium-3,6-dione IUPAC Name: 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]pyridazin-1-ium-3,6-dione Traditional Name: 1-(3,5-ditert-butyl-4-hydroxy-benzyl)pyridazin-1-ium-3,6-quinone Formula: C19H25N2O3+ MolecularWeight: 329.4134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2=NC(=O)C=CC2=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[N+]2=NC(=O)C=CC2=O

InChI

InChI=1S/C19H24N2O3/c1-18(2,3)13-9-12(10-14(17(13)24)19(4,5)6)11-21-16(23)8-7-15(22)20-21/h7-10H,11H2,1-6H3/p+1