(1-acetamido-3-hexadecoxy-propan-2-yl) 4-(trimethylazaniumyl)butyl phosphate

Systemtic Name: (1-acetamido-3-hexadecoxy-propan-2-yl) 4-(trimethylazaniumyl)butyl phosphate Openeye Name: [1-(acetamidomethyl)-2-hexadecoxy-ethyl] 4-(trimethylammonio)butyl phosphate CAS Name: (1-acetamido-3-hexadecoxypropan-2-yl) 4-(trimethylammonio)butyl phosphate IUPAC Name: (1-acetamido-3-hexadecoxypropan-2-yl) 4-(trimethylazaniumyl)butyl phosphate Traditional Name: [1-(acetamidomethyl)-2-cetyloxy-ethyl] 4-(trimethylammonio)butyl phosphate Formula: C28H59N2O6P MolecularWeight: 550.751621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)([O-])OCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)C)OP(=O)([O-])OCCCC[N+](C)(C)C

InChI

InChI=1S/C28H59N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-34-26-28(25-29-27(2)31)36-37(32,33)35-24-21-19-22-30(3,4)5/h28H,6-26H2,1-5H3,(H-,29,31,32,33)