1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]-N-(2-hydroxyethyl)pyridin-1-ium-4-carboxamide bromide Formula: C24H33BrN2O4 MolecularWeight: 493.43382

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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=C(C=C2)C(=O)NCCO.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4.BrH/c1-23(2,3)18-13-17(14-19(21(18)29)24(4,5)6)20(28)15-26-10-7-16(8-11-26)22(30)25-9-12-27;/h7-8,10-11,13-14,27H,9,12,15H2,1-6H3,(H-,25,28,29,30);1H