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

Systemtic Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium; ethyl sulfate Openeye Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)ammonium; ethyl sulfate CAS Name: 2-cyanoethyl-ethyl-(2-hydroxyethyl)-[2-(1-oxodocosylamino)ethyl]ammonium; ethyl sulfate IUPAC Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)azanium; ethyl sulfate Traditional Name: 2-cyanoethyl-[2-(docosanoylamino)ethyl]-ethyl-(2-hydroxyethyl)ammonium; ethyl sulfate Formula: C33H67N3O6S MolecularWeight: 633.96658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H61N3O2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-31(36)33-26-28-34(4-2,29-30-35)27-23-25-32;1-2-6-7(3,4)5/h35H,3-24,26-30H2,1-2H3;2H2,1H3,(H,3,4,5)