2-[[1-[ethanoyl(phenethyl)amino]-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-[ethanoyl(phenethyl)amino]-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[acetyl(phenethyl)amino]methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[acetyl(phenethyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[acetyl(phenethyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[acetyl(phenethyl)amino]methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C36H68N2O6P+ MolecularWeight: 655.908681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CCC1=CC=CC=C1)C(=O)C)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CCC1=CC=CC=C1)C(=O)C)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C36H67N2O6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-30-42-33-36(44-45(40,41)43-31-29-38(3,4)5)32-37(34(2)39)28-27-35-25-22-21-23-26-35/h21-23,25-26,36H,6-20,24,27-33H2,1-5H3/p+1