2,2-dimethyloctadecan-3-ylazanium; ethyl sulfate

Systemtic Name: 2,2-dimethyloctadecan-3-ylazanium; ethyl sulfate Openeye Name: 1-tert-butylhexadecylammonium; ethyl sulfate CAS Name: 2,2-dimethyloctadecan-3-ylammonium; ethyl sulfate IUPAC Name: 2,2-dimethyloctadecan-3-ylazanium; ethyl sulfate Traditional Name: 1-tert-butylhexadecylammonium; ethyl sulfate Formula: C22H49NO4S MolecularWeight: 423.69376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N.C2H6O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(2,3)4;1-2-6-7(3,4)5/h19H,5-18,21H2,1-4H3;2H2,1H3,(H,3,4,5)