[1-[ethanoyl-(phenylmethyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [1-[ethanoyl-(phenylmethyl)amino]-3-octadecoxy-propan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [1-[[acetyl(benzyl)amino]methyl]-2-octadecoxy-ethyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [1-[acetyl-(phenylmethyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [1-[acetyl(benzyl)amino]-3-octadecoxypropan-2-yl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [1-[[acetyl(benzyl)amino]methyl]-2-stearyloxy-ethyl] 2-(trimethylammonio)ethyl phosphate Formula: C35H65N2O6P MolecularWeight: 640.874161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)C)OP(=O)([O-])OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CC1=CC=CC=C1)C(=O)C)OP(=O)([O-])OCC[N+](C)(C)C

InChI

InChI=1S/C35H65N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-41-32-35(43-44(39,40)42-29-27-37(3,4)5)31-36(33(2)38)30-34-25-22-21-23-26-34/h21-23,25-26,35H,6-20,24,27-32H2,1-5H3