bis[6-(2-methyltridecan-2-ylazaniumyl)hexyl]-tridecan-2-yl-azanium tribromide

Systemtic Name: bis[6-(2-methyltridecan-2-ylazaniumyl)hexyl]-tridecan-2-yl-azanium tribromide Openeye Name: bis[6-(1,1-dimethyldodecylammonio)hexyl]-(1-methyldodecyl)ammonium tribromide CAS Name: bis[6-(2-methyltridecan-2-ylammonio)hexyl]-tridecan-2-ylammonium tribromide IUPAC Name: bis[6-(2-methyltridecan-2-ylazaniumyl)hexyl]-tridecan-2-ylazanium tribromide Traditional Name: bis[6-(1,1-dimethyldodecylammonio)hexyl]-(1-methyldodecyl)ammonium tribromide Formula: C53H114Br3N3 MolecularWeight: 1033.20436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C)[NH+](CCCCCC[NH2+]C(C)(C)CCCCCCCCCCC)CCCCCC[NH2+]C(C)(C)CCCCCCCCCCC.[Br-].[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC(C)[NH+](CCCCCC[NH2+]C(C)(C)CCCCCCCCCCC)CCCCCC[NH2+]C(C)(C)CCCCCCCCCCC.[Br-].[Br-].[Br-]

InChI

InChI=1S/C53H111N3.3BrH/c1-9-12-15-18-21-24-27-30-37-44-51(4)56(49-42-35-33-40-47-54-52(5,6)45-38-31-28-25-22-19-16-13-10-2)50-43-36-34-41-48-55-53(7,8)46-39-32-29-26-23-20-17-14-11-3;;;/h51,54-55H,9-50H2,1-8H3;3*1H