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

Systemtic Name: [1-(dimethylcarbamoylamino)-3-hexadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(dimethylcarbamoylamino)methyl]-2-hexadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[[dimethylamino(oxo)methyl]amino]-3-hexadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(dimethylcarbamoylamino)-3-hexadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-(cetyloxymethyl)-2-(dimethylcarbamoylamino)ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C27H58N3O6P MolecularWeight: 551.739681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H58N3O6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-34-25-26(24-28-27(31)29(2)3)36-37(32,33)35-23-21-30(4,5)6/h26H,7-25H2,1-6H3,(H-,28,31,32,33)