hydrogen sulfate; 2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl-methyl-bis(2-octadecanoyloxyethyl)azanium

Systemtic Name: hydrogen sulfate; 2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl-methyl-bis(2-octadecanoyloxyethyl)azanium Openeye Name: hydrogen sulfate; 2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl-methyl-bis(2-octadecanoyloxyethyl)ammonium CAS Name: hydrogen sulfate; 2-[2-hydroxyethyl-[2-(1-oxooctadecoxy)ethyl]amino]ethyl-methyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium IUPAC Name: hydrogen sulfate; 2-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]ethyl-methyl-bis(2-octadecanoyloxyethyl)azanium Traditional Name: 2-[2-hydroxyethyl(2-stearoyloxyethyl)amino]ethyl-methyl-bis(2-stearoyloxyethyl)ammonium bisulfate Formula: C65H130N2O11S MolecularWeight: 1147.7995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCN(CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCN(CC[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC)CCO.OS(=O)(=O)[O-]

InChI

InChI=1S/C65H129N2O7.H2O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-63(69)72-60-55-66(54-59-68)53-56-67(4,57-61-73-64(70)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-62-74-65(71)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5(2,3)4/h68H,5-62H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1