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

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide bromide Openeye Name: N-benzyl-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]pyridin-1-ium-4-carboxamide bromide CAS Name: 1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide bromide IUPAC Name: N-benzyl-1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]pyridin-1-ium-4-carboxamide bromide Traditional Name: N-benzyl-1-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-keto-ethyl]pyridin-1-ium-4-carboxamide bromide Formula: C29H35BrN2O3 MolecularWeight: 539.5038

Click to see the large picture

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)NCC3=CC=CC=C3.[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)NCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C29H34N2O3.BrH/c1-28(2,3)23-16-22(17-24(26(23)33)29(4,5)6)25(32)19-31-14-12-21(13-15-31)27(34)30-18-20-10-8-7-9-11-20;/h7-17H,18-19H2,1-6H3,(H-,30,32,33,34);1H