ethyl sulfate; 2-methylnonadecan-2-ylazanium

Systemtic Name: ethyl sulfate; 2-methylnonadecan-2-ylazanium Openeye Name: 1,1-dimethyloctadecylammonium; ethyl sulfate CAS Name: ethyl sulfate; 2-methylnonadecan-2-ylammonium IUPAC Name: ethyl sulfate; 2-methylnonadecan-2-ylazanium Traditional Name: 1,1-dimethyloctadecylammonium; ethyl sulfate Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCOS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)(C)[NH3+].CCOS(=O)(=O)[O-]

InChI

InChI=1S/C20H43N.C2H6O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)21;1-2-6-7(3,4)5/h4-19,21H2,1-3H3;2H2,1H3,(H,3,4,5)