hexadecyl-[5-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]pentyl]-bis(2-hydroxyethyl)azanium dibromide

Systemtic Name: hexadecyl-[5-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]pentyl]-bis(2-hydroxyethyl)azanium dibromide Openeye Name: hexadecyl-[5-[hexadecyl-bis(2-hydroxyethyl)ammonio]pentyl]-bis(2-hydroxyethyl)ammonium dibromide CAS Name: hexadecyl-[5-[hexadecyl-bis(2-hydroxyethyl)ammonio]pentyl]-bis(2-hydroxyethyl)ammonium dibromide IUPAC Name: hexadecyl-[5-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]pentyl]-bis(2-hydroxyethyl)azanium dibromide Traditional Name: cetyl-[5-[cetyl-bis(2-hydroxyethyl)ammonio]pentyl]-bis(2-hydroxyethyl)ammonium dibromide Formula: C45H96Br2N2O4 MolecularWeight: 889.06274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCCCCCC)(CCO)CCO)(CCO)CCO.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCCC[N+](CCCCCCCCCCCCCCCC)(CCO)CCO)(CCO)CCO.[Br-].[Br-]

InChI

InChI=1S/C45H96N2O4.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-34-46(38-42-48,39-43-49)36-32-29-33-37-47(40-44-50,41-45-51)35-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h48-51H,3-45H2,1-2H3;2*1H/q+2;;/p-2