hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; hydron; phosphate

Systemtic Name: hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; hydron; phosphate Openeye Name: hexadecyl-(1-hydroxyethyl)-dimethyl-ammonium; hydron; phosphate CAS Name: hexadecyl-(1-hydroxyethyl)-dimethylammonium; hydron; phosphate IUPAC Name: hexadecyl-(1-hydroxyethyl)-dimethylazanium; hydron; phosphate Traditional Name: cetyl-(1-hydroxyethyl)-dimethyl-ammonium; hydron; phosphate Formula: C20H46NO5P MolecularWeight: 411.556701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44NO.H3O4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3,4)20(2)22;1-5(2,3)4/h20,22H,5-19H2,1-4H3;(H3,1,2,3,4)/q+1;/p-1