N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; diethyl sulfate

Systemtic Name: N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; diethyl sulfate Openeye Name: N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; diethyl sulfate CAS Name: N-[2-[2-cyanoethyl-[2-(1-oxooctadecylamino)ethyl]amino]ethyl]octadecanamide; sulfuric acid diethyl ester IUPAC Name: N-[2-[2-cyanoethyl-[2-(octadecanoylamino)ethyl]amino]ethyl]octadecanamide; diethyl sulfate Traditional Name: N-[2-[2-cyanoethyl(2-stearamidoethyl)amino]ethyl]stearamide; sulfuric acid diethyl ester Formula: C47H94N4O6S MolecularWeight: 843.33746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#N)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)OCC

InChI

InChI=1S/C43H84N4O2.C4H10O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-42(48)45-37-40-47(39-33-36-44)41-38-46-43(49)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-3-7-9(5,6)8-4-2/h3-35,37-41H2,1-2H3,(H,45,48)(H,46,49);3-4H2,1-2H3