N-[2-(3-ethyl-2-heptadecyl-imidazolidin-3-ium-1-yl)ethyl]octadecanamide; ethyl sulfate

Systemtic Name: N-[2-(3-ethyl-2-heptadecyl-imidazolidin-3-ium-1-yl)ethyl]octadecanamide; ethyl sulfate Openeye Name: N-[2-(3-ethyl-2-heptadecyl-imidazolidin-3-ium-1-yl)ethyl]octadecanamide; ethyl sulfate CAS Name: N-[2-(3-ethyl-2-heptadecyl-1-imidazolidin-3-iumyl)ethyl]octadecanamide; ethyl sulfate IUPAC Name: N-[2-(3-ethyl-2-heptadecylimidazolidin-3-ium-1-yl)ethyl]octadecanamide; ethyl sulfate Traditional Name: N-[2-(3-ethyl-2-heptadecyl-imidazolidin-3-ium-1-yl)ethyl]stearamide; ethyl sulfate Formula: C44H91N3O5S MolecularWeight: 774.27544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1[NH+](CCN1CCNC(=O)CCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1[NH+](CCN1CCNC(=O)CCCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C42H85N3O.C2H6O4S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2;1-2-6-7(3,4)5/h42H,4-40H2,1-3H3,(H,43,46);2H2,1H3,(H,3,4,5)