ethyl-dimethyl-octadecyl-azanium; methyl sulfate

Systemtic Name: ethyl-dimethyl-octadecyl-azanium; methyl sulfate Openeye Name: ethyl-dimethyl-octadecyl-ammonium; methyl sulfate CAS Name: ethyl-dimethyl-octadecylammonium; methyl sulfate IUPAC Name: ethyl-dimethyl-octadecylazanium; methyl sulfate Traditional Name: ethyl-dimethyl-stearyl-ammonium; methyl sulfate Formula: C23H51NO4S MolecularWeight: 437.72034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H48N.CH4O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2;1-5-6(2,3)4/h5-22H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1