2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-azanium; ethyl sulfate

Systemtic Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-ethyl-bis[2-(1-oxodocosylamino)ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethylazanium; ethyl sulfate Traditional Name: 2-cyanoethyl-bis[2-(docosanoylamino)ethyl]-ethyl-ammonium; ethyl sulfate Formula: C55H110N4O6S MolecularWeight: 955.5501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C53H104N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-52(58)55-47-50-57(6-3,49-43-46-54)51-48-56-53(59)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-45,47-51H2,1-3H3,(H-,55,56,58,59);2H2,1H3,(H,3,4,5)