1-[[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium tribromide

Systemtic Name: 1-[[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium tribromide Openeye Name: 1-[[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methyl-imidazol-3-ium tribromide CAS Name: 1-[[3,5-bis[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl]methyl]-3-methylimidazol-3-ium tribromide IUPAC Name: 1-[[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-3-methylimidazol-3-ium tribromide Traditional Name: 1-[3,5-bis[(3-methylimidazol-3-ium-1-yl)methyl]benzyl]-3-methyl-imidazol-3-ium tribromide Formula: C21H27Br3N6 MolecularWeight: 603.19128

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC(=CC(=C2)CN3C=C[N+](=C3)C)CN4C=C[N+](=C4)C.[Br-].[Br-].[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC(=CC(=C2)CN3C=C[N+](=C3)C)CN4C=C[N+](=C4)C.[Br-].[Br-].[Br-]

InChI

InChI=1S/C21H27N6.3BrH/c1-22-4-7-25(16-22)13-19-10-20(14-26-8-5-23(2)17-26)12-21(11-19)15-27-9-6-24(3)18-27;;;/h4-12,16-18H,13-15H2,1-3H3;3*1H/q+3;;;/p-3