4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butyl-phenol

Systemtic Name: 4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butyl-phenol Openeye Name: 4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[[[4-(4-bromophenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]-2,6-ditert-butyl-phenol Formula: C25H33BrN3O+ MolecularWeight: 471.45302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=[N+](C(=CN2)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CNC2=[N+](C(=CN2)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C25H32BrN3O/c1-24(2,3)19-12-16(13-20(22(19)30)25(4,5)6)14-27-23-28-15-21(29(23)7)17-8-10-18(26)11-9-17/h8-13,15H,14H2,1-7H3,(H2,27,28,30)/p+1