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

Systemtic Name: [1-(butanoylamino)-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(butanoylamino)methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-(1-oxobutylamino)propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(butanoylamino)-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(butyramidomethyl)-2-cetyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C28H59N2O6P MolecularWeight: 550.751621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H59N2O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-26-27(25-29-28(31)21-7-2)36-37(32,33)35-24-22-30(3,4)5/h27H,6-26H2,1-5H3,(H-,29,31,32,33)