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

Systemtic Name: [1-(ethylcarbamoylamino)-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[(ethylcarbamoylamino)methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-(ethylcarbamoylamino)-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-(ethylcarbamoylamino)-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[(ethylcarbamoylamino)methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C29H62N3O6P MolecularWeight: 579.792841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H62N3O6P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-36-27-28(26-31-29(33)30-7-2)38-39(34,35)37-25-23-32(3,4)5/h28H,6-27H2,1-5H3,(H2-,30,31,33,34,35)