hexadecyl-[2-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium

Systemtic Name: hexadecyl-[2-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium Openeye Name: hexadecyl-[2-[hexadecyl-bis(2-hydroxyethyl)ammonio]ethyl]-bis(2-hydroxyethyl)ammonium CAS Name: hexadecyl-[2-[hexadecyl-bis(2-hydroxyethyl)ammonio]ethyl]-bis(2-hydroxyethyl)ammonium IUPAC Name: hexadecyl-[2-[hexadecyl-bis(2-hydroxyethyl)azaniumyl]ethyl]-bis(2-hydroxyethyl)azanium Traditional Name: cetyl-[2-[cetyl-bis(2-hydroxyethyl)ammonio]ethyl]-bis(2-hydroxyethyl)ammonium Formula: C42H90N2O4+2 MolecularWeight: 687.175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H90N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-43(35-39-45,36-40-46)33-34-44(37-41-47,38-42-48)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-48H,3-42H2,1-2H3/q+2