[1-(butanoylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-(butanoylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(butanoylamino)methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-octadecoxy-3-(1-oxobutylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(butanoylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(butyramidomethyl)-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C30H63N2O6P MolecularWeight: 578.804781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCC)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CNC(=O)CCC)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C30H63N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-36-28-29(27-31-30(33)23-7-2)38-39(34,35)37-26-24-32(3,4)5/h29H,6-28H2,1-5H3,(H-,31,33,34,35)