(1-acetamido-3-hexadecoxy-propan-2-yl) 2-[butyl(dimethyl)azaniumyl]ethyl phosphate

Systemtic Name: (1-acetamido-3-hexadecoxy-propan-2-yl) 2-[butyl(dimethyl)azaniumyl]ethyl phosphate Openeye Name: [1-(acetamidomethyl)-2-hexadecoxy-ethyl] 2-[butyl(dimethyl)ammonio]ethyl phosphate CAS Name: (1-acetamido-3-hexadecoxypropan-2-yl) 2-[butyl(dimethyl)ammonio]ethyl phosphate IUPAC Name: (1-acetamido-3-hexadecoxypropan-2-yl) 2-[butyl(dimethyl)azaniumyl]ethyl phosphate Traditional Name: [1-(acetamidomethyl)-2-cetyloxy-ethyl] 2-[butyl(dimethyl)ammonio]ethyl phosphate Formula: C29H61N2O6P MolecularWeight: 564.778201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H61N2O6P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-24-35-27-29(26-30-28(3)32)37-38(33,34)36-25-23-31(4,5)22-9-7-2/h29H,6-27H2,1-5H3,(H-,30,32,33,34)