2-[hexadecyl(phenylmethoxycarbonyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: 2-[hexadecyl(phenylmethoxycarbonyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: 2-[benzyloxycarbonyl(hexadecyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate CAS Name: 2-[hexadecyl(phenylmethoxycarbonyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate IUPAC Name: 2-[hexadecyl(phenylmethoxycarbonyl)amino]ethyl 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: 2-[carbobenzoxy(cetyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate Formula: C31H57N2O6P MolecularWeight: 584.767841

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CCOP(=O)([O-])OCC[N+](C)(C)C)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C31H57N2O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-32(31(34)37-29-30-22-19-18-20-23-30)25-27-38-40(35,36)39-28-26-33(2,3)4/h18-20,22-23H,5-17,21,24-29H2,1-4H3