[(2R,3S)-2-(octadecylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate

Systemtic Name: [(2R,3S)-2-(octadecylamino)-3-oxidanyl-octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Openeye Name: [(2R,3S)-3-hydroxy-2-(octadecylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate CAS Name: [(2R,3S)-3-hydroxy-2-(octadecylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate IUPAC Name: [(2R,3S)-3-hydroxy-2-(octadecylamino)octadecyl] 2-(trimethylazaniumyl)ethyl phosphate Traditional Name: [(2R,3S)-3-hydroxy-2-(stearylamino)octadecyl] 2-(trimethylammonio)ethyl phosphate Formula: C41H87N2O5P MolecularWeight: 719.113641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(COP(=O)([O-])OCC[N+](C)(C)C)C(CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN[C@H](COP(=O)([O-])OCC[N+](C)(C)C)[C@H](CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C41H87N2O5P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-34-36-42-40(39-48-49(45,46)47-38-37-43(3,4)5)41(44)35-33-31-29-27-25-23-19-17-15-13-11-9-7-2/h40-42,44H,6-39H2,1-5H3/t40-,41+/m1/s1