2-[[2-(9-chloranyloctadecanoyl)-4-(octadecanoylamino)phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[2-(9-chloranyloctadecanoyl)-4-(octadecanoylamino)phenoxy]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[2-(9-chlorooctadecanoyl)-4-(octadecanoylamino)phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[2-(9-chloro-1-oxooctadecyl)-4-(1-oxooctadecylamino)phenoxy]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[2-(9-chlorooctadecanoyl)-4-(octadecanoylamino)phenoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[2-(9-chlorooctadecanoyl)-4-stearamido-phenoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C47H87ClN2O6P+ MolecularWeight: 842.630241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCC[N+](C)(C)C)C(=O)CCCCCCCC(CCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)OP(=O)(O)OCC[N+](C)(C)C)C(=O)CCCCCCCC(CCCCCCCCC)Cl

InChI

InChI=1S/C47H86ClN2O6P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-28-32-36-47(52)49-43-37-38-46(56-57(53,54)55-40-39-50(3,4)5)44(41-43)45(51)35-31-27-24-26-30-34-42(48)33-29-25-22-13-11-9-7-2/h37-38,41-42H,6-36,39-40H2,1-5H3,(H-,49,52,53,54)/p+1