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

Systemtic Name: 2-[[1-[ethylcarbamoyl(hexadecyl)amino]-3-octadecoxy-propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-[[ethylcarbamoyl(hexadecyl)amino]methyl]-2-octadecoxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-[ethylcarbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-[ethylcarbamoyl(hexadecyl)amino]-3-octadecoxypropan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-[[cetyl(ethylcarbamoyl)amino]methyl]-2-stearyloxy-ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C45H95N3O6P+ MolecularWeight: 805.226061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NCC)OP(=O)(O)OCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CN(CCCCCCCCCCCCCCCC)C(=O)NCC)OP(=O)(O)OCC[N+](C)(C)C

InChI

InChI=1S/C45H94N3O6P/c1-7-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-40-52-43-44(54-55(50,51)53-41-39-48(4,5)6)42-47(45(49)46-9-3)38-36-34-32-30-28-26-23-21-19-17-15-13-11-8-2/h44H,7-43H2,1-6H3,(H-,46,49,50,51)/p+1