hydrogen sulfate; 3-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]propyl-bis(2-octadecanoyloxyethyl)azanium

Systemtic Name: hydrogen sulfate; 3-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]propyl-bis(2-octadecanoyloxyethyl)azanium Openeye Name: hydrogen sulfate; 3-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]propyl-bis(2-octadecanoyloxyethyl)ammonium CAS Name: hydrogen sulfate; 3-[2-hydroxyethyl-[2-(1-oxooctadecoxy)ethyl]amino]propyl-bis[2-(1-oxooctadecoxy)ethyl]ammonium IUPAC Name: hydrogen sulfate; 3-[2-hydroxyethyl(2-octadecanoyloxyethyl)amino]propyl-bis(2-octadecanoyloxyethyl)azanium Traditional Name: 3-[2-hydroxyethyl(2-stearoyloxyethyl)amino]propyl-bis(2-stearoyloxyethyl)ammonium bisulfate Formula: C65H130N2O11S MolecularWeight: 1147.7995

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCCN(CCO)CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC.OS(=O)(=O)[O-]

InChI

InChI=1S/C65H128N2O7.H2O4S/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-50-63(69)72-60-56-66(55-59-68)53-49-54-67(57-61-73-64(70)51-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)58-62-74-65(71)52-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-5(2,3)4/h68H,4-62H2,1-3H3;(H2,1,2,3,4)