[4-(hydroxymethyl)-3-octadecyl-4-oxidanyl-1-(trimethylazaniumyl)docosan-2-yl] hydrogen phosphate

Systemtic Name: [4-(hydroxymethyl)-3-octadecyl-4-oxidanyl-1-(trimethylazaniumyl)docosan-2-yl] hydrogen phosphate Openeye Name: [3-hydroxy-3-(hydroxymethyl)-2-octadecyl-1-[(trimethylammonio)methyl]henicosyl] hydrogen phosphate CAS Name: [4-hydroxy-4-(hydroxymethyl)-3-octadecyl-1-(trimethylammonio)docosan-2-yl] hydrogen phosphate IUPAC Name: [4-hydroxy-4-(hydroxymethyl)-3-octadecyl-1-(trimethylazaniumyl)docosan-2-yl] hydrogen phosphate Traditional Name: [3-hydroxy-3-methylol-2-stearyl-1-[(trimethylammonio)methyl]heneicosyl] hydrogen phosphate Formula: C44H92NO6P MolecularWeight: 762.178141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C(C[N+](C)(C)C)OP(=O)(O)[O-])C(CCCCCCCCCCCCCCCCCC)(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C(C[N+](C)(C)C)OP(=O)(O)[O-])C(CCCCCCCCCCCCCCCCCC)(CO)O

InChI

InChI=1S/C44H92NO6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-42(43(40-45(3,4)5)51-52(48,49)50)44(47,41-46)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42-43,46-47H,6-41H2,1-5H3,(H-,48,49,50)