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

Systemtic Name: [1-hexadecoxy-3-(phenethylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-(hexadecoxymethyl)-2-(phenethylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-hexadecoxy-3-[[oxo-(phenethylamino)methyl]amino]propan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-hexadecoxy-3-(phenethylcarbamoylamino)propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-(phenethylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C33H62N3O6P MolecularWeight: 627.835641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CNC(=O)NCCC1=CC=CC=C1)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C33H62N3O6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-40-30-32(42-43(38,39)41-28-26-36(2,3)4)29-35-33(37)34-25-24-31-22-19-18-20-23-31/h18-20,22-23,32H,5-17,21,24-30H2,1-4H3,(H2-,34,35,37,38,39)