[2-(hexadecoxymethyl)-3-methyl-butyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [2-(hexadecoxymethyl)-3-methyl-butyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [2-(hexadecoxymethyl)-3-methyl-butyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [2-(hexadecoxymethyl)-3-methylbutyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [2-(hexadecoxymethyl)-3-methylbutyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [2-(cetyloxymethyl)-3-methyl-butyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H58NO5P MolecularWeight: 507.726881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)C(C)C

InChI

InChI=1S/C27H58NO5P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-27(26(2)3)25-33-34(29,30)32-23-21-28(4,5)6/h26-27H,7-25H2,1-6H3