bis[3-(2-methyltridecan-2-ylazaniumyl)propyl]-tridecan-2-yl-azanium tribromide

Systemtic Name: bis[3-(2-methyltridecan-2-ylazaniumyl)propyl]-tridecan-2-yl-azanium tribromide Openeye Name: bis[3-(1,1-dimethyldodecylammonio)propyl]-(1-methyldodecyl)ammonium tribromide CAS Name: bis[3-(2-methyltridecan-2-ylammonio)propyl]-tridecan-2-ylammonium tribromide IUPAC Name: bis[3-(2-methyltridecan-2-ylazaniumyl)propyl]-tridecan-2-ylazanium tribromide Traditional Name: bis[3-(1,1-dimethyldodecylammonio)propyl]-(1-methyldodecyl)ammonium tribromide Formula: C47H102Br3N3 MolecularWeight: 949.04488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C47H99N3.3BrH/c1-9-12-15-18-21-24-27-30-33-38-45(4)50(43-36-41-48-46(5,6)39-34-31-28-25-22-19-16-13-10-2)44-37-42-49-47(7,8)40-35-32-29-26-23-20-17-14-11-3;;;/h45,48-49H,9-44H2,1-8H3;3*1H