hexadecyl-[4-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]butyl]-bis(2-hydroxyethyl)azanium dibromide

Systemtic Name: hexadecyl-[4-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]butyl]-bis(2-hydroxyethyl)azanium dibromide Openeye Name: hexadecyl-[4-[hexadecyl-bis(2-hydroxyethyl)ammonio]butyl]-bis(2-hydroxyethyl)ammonium dibromide CAS Name: hexadecyl-[4-[hexadecyl-bis(2-hydroxyethyl)ammonio]butyl]-bis(2-hydroxyethyl)ammonium dibromide IUPAC Name: hexadecyl-[4-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]butyl]-bis(2-hydroxyethyl)azanium dibromide Traditional Name: cetyl-[4-[cetyl-bis(2-hydroxyethyl)ammonio]butyl]-bis(2-hydroxyethyl)ammonium dibromide Formula: C44H94Br2N2O4 MolecularWeight: 875.03616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H94N2O4.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-45(37-41-47,38-42-48)35-31-32-36-46(39-43-49,40-44-50)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h47-50H,3-44H2,1-2H3;2*1H/q+2;;/p-2