1-tert-butyl-3-[[2,4,5-tris[(3-tert-butylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium tetrabromide

Systemtic Name: 1-tert-butyl-3-[[2,4,5-tris[(3-tert-butylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium tetrabromide Openeye Name: 1-tert-butyl-3-[[2,4,5-tris[(3-tert-butylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium tetrabromide CAS Name: 1-tert-butyl-3-[[2,4,5-tris[(3-tert-butyl-1-imidazol-1-iumyl)methyl]phenyl]methyl]imidazol-3-ium tetrabromide IUPAC Name: 1-tert-butyl-3-[[2,4,5-tris[(3-tert-butylimidazol-1-ium-1-yl)methyl]phenyl]methyl]imidazol-3-ium tetrabromide Traditional Name: 1-tert-butyl-3-[2,4,5-tris[(3-tert-butylimidazol-1-ium-1-yl)methyl]benzyl]imidazol-3-ium tetrabromide Formula: C38H58Br4N8 MolecularWeight: 946.53672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C[N+](=C1)CC2=CC(=C(C=C2C[N+]3=CN(C=C3)C(C)(C)C)C[N+]4=CN(C=C4)C(C)(C)C)C[N+]5=CN(C=C5)C(C)(C)C.[Br-].[Br-].[Br-].[Br-]

Isomeric SMILES

CC(C)(C)N1C=C[N+](=C1)CC2=CC(=C(C=C2C[N+]3=CN(C=C3)C(C)(C)C)C[N+]4=CN(C=C4)C(C)(C)C)C[N+]5=CN(C=C5)C(C)(C)C.[Br-].[Br-].[Br-].[Br-]

InChI

InChI=1S/C38H58N8.4BrH/c1-35(2,3)43-17-13-39(27-43)23-31-21-33(25-41-15-19-45(29-41)37(7,8)9)34(26-42-16-20-46(30-42)38(10,11)12)22-32(31)24-40-14-18-44(28-40)36(4,5)6;;;;/h13-22,27-30H,23-26H2,1-12H3;4*1H/q+4;;;;/p-4