3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium

Systemtic Name: 3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium Openeye Name: 3-[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-imidazol-3-ium CAS Name: 3-[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-imidazol-3-ium IUPAC Name: 3-[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-imidazol-3-ium Traditional Name: 3-[3-(bromomethyl)-5-tert-butyl-benzyl]-1H-imidazol-3-ium Formula: C15H20BrN2+ MolecularWeight: 308.2367

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CBr)C[N+]2=CNC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CBr)C[N+]2=CNC=C2

InChI

InChI=1S/C15H19BrN2/c1-15(2,3)14-7-12(9-16)6-13(8-14)10-18-5-4-17-11-18/h4-8,11H,9-10H2,1-3H3/p+1