hexadecyl [(1R,2R)-2-(trimethylazaniumyl)cyclohexyl] phosphate

Systemtic Name: hexadecyl [(1R,2R)-2-(trimethylazaniumyl)cyclohexyl] phosphate Openeye Name: hexadecyl [(1R,2R)-2-(trimethylammonio)cyclohexyl] phosphate CAS Name: hexadecyl [(1R,2R)-2-(trimethylammonio)cyclohexyl] phosphate IUPAC Name: hexadecyl [(1R,2R)-2-(trimethylazaniumyl)cyclohexyl] phosphate Traditional Name: cetyl [(1R,2R)-2-(trimethylammonio)cyclohexyl] phosphate Formula: C25H52NO4P MolecularWeight: 461.658441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOP(=O)([O-])OC1CCCCC1[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOP(=O)([O-])O[C@@H]1CCCC[C@H]1[N+](C)(C)C

InChI

InChI=1S/C25H52NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-29-31(27,28)30-25-22-19-18-21-24(25)26(2,3)4/h24-25H,5-23H2,1-4H3/t24-,25-/m1/s1