3-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]propyl-dodecyl-dimethyl-azanium dibromide

Systemtic Name: 3-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]propyl-dodecyl-dimethyl-azanium dibromide Openeye Name: 3-[dimethyl(6-pyren-1-ylhexyl)ammonio]propyl-dodecyl-dimethyl-ammonium dibromide CAS Name: 3-[dimethyl-[6-(1-pyrenyl)hexyl]ammonio]propyl-dodecyl-dimethylammonium dibromide IUPAC Name: 3-[dimethyl(6-pyren-1-ylhexyl)azaniumyl]propyl-dodecyl-dimethylazanium dibromide Traditional Name: 3-[dimethyl(6-pyren-1-ylhexyl)ammonio]propyl-lauryl-dimethyl-ammonium dibromide Formula: C41H64Br2N2 MolecularWeight: 744.76826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CCC[N+](C)(C)CCCCCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1.[Br-].[Br-]

InChI

InChI=1S/C41H64N2.2BrH/c1-6-7-8-9-10-11-12-13-15-18-31-42(2,3)33-21-34-43(4,5)32-19-16-14-17-22-35-25-26-38-28-27-36-23-20-24-37-29-30-39(35)41(38)40(36)37;;/h20,23-30H,6-19,21-22,31-34H2,1-5H3;2*1H/q+2;;/p-2