hexadecyl-[3-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]propyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: hexadecyl-[3-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]propyl]-bis(2-hydroxyethyl)azanium Openeye Name: hexadecyl-[3-[hexadecyl-bis(2-hydroxyethyl)ammonio]propyl]-bis(2-hydroxyethyl)ammonium CAS Name: hexadecyl-[3-[hexadecyl-bis(2-hydroxyethyl)ammonio]propyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: hexadecyl-[3-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]propyl]-bis(2-hydroxyethyl)azanium Traditional Name: cetyl-[3-[cetyl-bis(2-hydroxyethyl)ammonio]propyl]-bis(2-hydroxyethyl)ammonium Formula: C43H92N2O4+2 MolecularWeight: 701.20158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCC[N+](CCCCCCCCCCCCCCCC)(CCO)CCO)(CCO)CCO

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCC[N+](CCCCCCCCCCCCCCCC)(CCO)CCO)(CCO)CCO

InChI

InChI=1S/C43H92N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32-44(36-40-46,37-41-47)34-31-35-45(38-42-48,39-43-49)33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46-49H,3-43H2,1-2H3/q+2