dimethyl-octadecyl-octan-3-yl-azanium; methyl sulfate

Systemtic Name: dimethyl-octadecyl-octan-3-yl-azanium; methyl sulfate Openeye Name: 1-ethylhexyl-dimethyl-octadecyl-ammonium; methyl sulfate CAS Name: dimethyl-octadecyl-octan-3-ylammonium; methyl sulfate IUPAC Name: dimethyl-octadecyl-octan-3-ylazanium; methyl sulfate Traditional Name: 1-ethylhexyl-dimethyl-stearyl-ammonium; methyl sulfate Formula: C29H63NO4S MolecularWeight: 521.87982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H60N.CH4O4S/c1-6-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-29(4,5)28(8-3)26-24-10-7-2;1-5-6(2,3)4/h28H,6-27H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1