2-[[4-azanyl-2-(hexadecoxymethyl)icosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[4-azanyl-2-(hexadecoxymethyl)icosoxy]-oxidanyl-phosphanyl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[4-amino-2-(hexadecoxymethyl)icosoxy]-hydroxy-phosphanyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[4-amino-2-(hexadecoxymethyl)eicosoxy]-hydroxyphosphino]oxyethyl-trimethylammonium IUPAC Name: 2-[[4-amino-2-(hexadecoxymethyl)icosoxy]-hydroxyphosphanyl]oxyethyl-trimethylazanium Traditional Name: 2-[[4-amino-2-(cetyloxymethyl)eicosoxy]-hydroxy-phosphino]oxyethyl-trimethyl-ammonium Formula: C42H90N2O4P+ MolecularWeight: 718.148761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C)N

Isomeric SMILES

CCCCCCCCCCCCCCCCC(CC(COCCCCCCCCCCCCCCCC)COP(O)OCC[N+](C)(C)C)N

InChI

InChI=1S/C42H90N2O4P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(43)38-41(40-48-49(45)47-37-35-44(3,4)5)39-46-36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41-42,45H,6-40,43H2,1-5H3/q+1