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

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-N-(3-oxidanylpropyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-N-(3-hydroxypropyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Traditional Name: 1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]-N-(3-hydroxypropyl)pyridin-1-ium-4-carboxamide bromide Formula: C25H35BrN2O4 MolecularWeight: 507.4604

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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)NCCCO.[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)NCCCO.[Br-]

InChI

InChI=1S/C25H34N2O4.BrH/c1-24(2,3)19-14-18(15-20(22(19)30)25(4,5)6)21(29)16-27-11-8-17(9-12-27)23(31)26-10-7-13-28;/h8-9,11-12,14-15,28H,7,10,13,16H2,1-6H3,(H-,26,29,30,31);1H