2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-methyl-imidazol-3-ium-1-yl]ethanal bromide

Systemtic Name: 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-3-methyl-imidazol-3-ium-1-yl]ethanal bromide Openeye Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-methyl-imidazol-3-ium-1-yl]acetaldehyde bromide CAS Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methyl-1-imidazol-3-iumyl]acetaldehyde bromide IUPAC Name: 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-3-methylimidazol-3-ium-1-yl]acetaldehyde bromide Traditional Name: 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-3-methyl-imidazol-3-ium-1-yl]acetaldehyde bromide Formula: C20H29BrN2O2 MolecularWeight: 409.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C=CN2CC=O)C.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=[N+](C=CN2CC=O)C.[Br-]

InChI

InChI=1S/C20H28N2O2.BrH/c1-19(2,3)15-12-14(13-16(17(15)24)20(4,5)6)18-21(7)8-9-22(18)10-11-23;/h8-9,11-13H,10H2,1-7H3;1H