1-[[2-bromanyl-3-[(3-dodecylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-dodecyl-benzimidazol-1-ium dibromide

Systemtic Name: 1-[[2-bromanyl-3-[(3-dodecylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-dodecyl-benzimidazol-1-ium dibromide Openeye Name: 1-[[2-bromo-3-[(3-dodecylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-dodecyl-benzimidazol-1-ium dibromide CAS Name: 1-[[2-bromo-3-[(3-dodecyl-1-benzimidazol-1-iumyl)methyl]phenyl]methyl]-3-dodecylbenzimidazol-1-ium dibromide IUPAC Name: 1-[[2-bromo-3-[(3-dodecylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]-3-dodecylbenzimidazol-1-ium dibromide Traditional Name: 1-[2-bromo-3-[(3-laurylbenzimidazol-1-ium-1-yl)methyl]benzyl]-3-lauryl-benzimidazol-1-ium dibromide Formula: C46H67Br3N4 MolecularWeight: 915.76298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)CC3=C(C(=CC=C3)C[N+]4=CN(C5=CC=CC=C54)CCCCCCCCCCCC)Br.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCN1C=[N+](C2=CC=CC=C21)CC3=C(C(=CC=C3)C[N+]4=CN(C5=CC=CC=C54)CCCCCCCCCCCC)Br.[Br-].[Br-]

InChI

InChI=1S/C46H67BrN4.2BrH/c1-3-5-7-9-11-13-15-17-19-25-34-48-38-50(44-32-23-21-30-42(44)48)36-40-28-27-29-41(46(40)47)37-51-39-49(43-31-22-24-33-45(43)51)35-26-20-18-16-14-12-10-8-6-4-2;;/h21-24,27-33,38-39H,3-20,25-26,34-37H2,1-2H3;2*1H/q+2;;/p-2