ethyl-methyl-dioctadecyl-azanium; ethyl sulfate

Systemtic Name: ethyl-methyl-dioctadecyl-azanium; ethyl sulfate Openeye Name: ethyl-methyl-dioctadecyl-ammonium; ethyl sulfate CAS Name: ethyl-methyl-dioctadecylammonium; ethyl sulfate IUPAC Name: ethyl-methyl-dioctadecylazanium; ethyl sulfate Traditional Name: ethyl-methyl-distearyl-ammonium; ethyl sulfate Formula: C41H87NO4S MolecularWeight: 690.19878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CC)CCCCCCCCCCCCCCCCCC.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C39H82N.C2H6O4S/c1-5-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(4,7-3)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-6-2;1-2-6-7(3,4)5/h5-39H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1