(2-hexadecoxy-2-oxidanylidene-ethyl)-trimethyl-azanium; methyl sulfate

Systemtic Name: (2-hexadecoxy-2-oxidanylidene-ethyl)-trimethyl-azanium; methyl sulfate Openeye Name: (2-hexadecoxy-2-oxo-ethyl)-trimethyl-ammonium; methyl sulfate CAS Name: (2-hexadecoxy-2-oxoethyl)-trimethylammonium; methyl sulfate IUPAC Name: (2-hexadecoxy-2-oxoethyl)-trimethylazanium; methyl sulfate Traditional Name: (2-cetyloxy-2-keto-ethyl)-trimethyl-ammonium; methyl sulfate Formula: C22H47NO6S MolecularWeight: 453.67668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[N+](C)(C)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H44NO2.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20-22(2,3)4;1-5-6(2,3)4/h5-20H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1