hexadecyl(trimethyl)azanium phosphate

Systemtic Name: hexadecyl(trimethyl)azanium phosphate Openeye Name: hexadecyl(trimethyl)ammonium phosphate CAS Name: hexadecyl(trimethyl)ammonium phosphate IUPAC Name: hexadecyl(trimethyl)azanium phosphate Traditional Name: cetyl(trimethyl)ammonium phosphate Formula: C57H126N3O4P MolecularWeight: 948.601801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C19H42N.H3O4P/c3*1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-5(2,3)4/h3*5-19H2,1-4H3;(H3,1,2,3,4)/q3*+1;/p-3