hexadecyl(trimethyl)azanium; methane; sulfate

Systemtic Name: hexadecyl(trimethyl)azanium; methane; sulfate Openeye Name: hexadecyl(trimethyl)ammonium; methane; sulfate CAS Name: hexadecyl(trimethyl)ammonium; methane; sulfate IUPAC Name: hexadecyl(trimethyl)azanium; methane; sulfate Traditional Name: cetyl(trimethyl)ammonium; methane; sulfate Formula: C20H46NO4S- MolecularWeight: 396.64854

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Descriptors Computed from Structure

Canonical SMILES:

C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C.CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C19H42N.CH4.H2O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;;1-5(2,3)4/h5-19H2,1-4H3;1H4;(H2,1,2,3,4)/q+1;;/p-2