1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium dibromide

Systemtic Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium dibromide Openeye Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium dibromide CAS Name: 1-[[3-tert-butyl-5-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-3-methylimidazol-3-ium dibromide IUPAC Name: 1-[[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methylimidazol-3-ium dibromide Traditional Name: 1-[3-tert-butyl-5-[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-3-methyl-imidazol-3-ium dibromide Formula: C20H28Br2N4 MolecularWeight: 484.27112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CN2C=C[N+](=C2)C)CN3C=C[N+](=C3)C.[Br-].[Br-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CN2C=C[N+](=C2)C)CN3C=C[N+](=C3)C.[Br-].[Br-]

InChI

InChI=1S/C20H28N4.2BrH/c1-20(2,3)19-11-17(13-23-8-6-21(4)15-23)10-18(12-19)14-24-9-7-22(5)16-24;;/h6-12,15-16H,13-14H2,1-5H3;2*1H/q+2;;/p-2