3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethyl-propanenitrilium; ethyl sulfate

Systemtic Name: 3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethyl-propanenitrilium; ethyl sulfate Openeye Name: 3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethyl-propanenitrilium; ethyl sulfate CAS Name: 3-[bis[2-(1-oxooctadecylamino)ethyl]amino]-N-ethylpropanenitrilium; ethyl sulfate IUPAC Name: 3-[bis[2-(octadecanoylamino)ethyl]amino]-N-ethylpropanenitrilium; ethyl sulfate Traditional Name: 3-[bis(2-stearamidoethyl)amino]-N-ethyl-propiononitrilium; ethyl sulfate Formula: C47H94N4O6S MolecularWeight: 843.33746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#[N+]CC)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NCCN(CCC#[N+]CC)CCNC(=O)CCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C45H88N4O2.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(50)47-39-42-49(41-35-38-46-6-3)43-40-48-45(51)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h4-37,39-43H2,1-3H3,(H-,47,48,50,51);2H2,1H3,(H,3,4,5)