2-[[1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecyl-amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecyl-amino]propan-2-yl]oxy-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[1-(hexadecoxymethyl)-2-[[(E)-octadec-9-enoyl]-octadecyl-amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[1-hexadecoxy-3-[octadecyl-[(E)-1-oxooctadec-9-enyl]amino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[1-hexadecoxy-3-[[(E)-octadec-9-enoyl]-octadecylamino]propan-2-yl]oxy-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[1-(cetyloxymethyl)-2-[[(E)-octadec-9-enoyl]-stearyl-amino]ethoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C60H122N2O6P+ MolecularWeight: 998.594241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)C(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CC(COCCCCCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C)C(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C60H121N2O6P/c1-7-10-13-16-19-22-25-28-31-33-35-38-41-44-47-50-53-61(60(63)52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-2)57-59(68-69(64,65)67-56-54-62(4,5)6)58-66-55-51-48-45-42-39-36-30-27-24-21-18-15-12-9-3/h29,32,59H,7-28,30-31,33-58H2,1-6H3/p+1/b32-29+