2-[[(4S,5R)-4-(hexanoylamino)-5-oxidanyl-dodecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(4S,5R)-4-(hexanoylamino)-5-oxidanyl-dodecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(4S,5R)-4-(hexanoylamino)-5-hydroxy-dodecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(4S,5R)-5-hydroxy-4-(1-oxohexylamino)dodecyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(4S,5R)-4-(hexanoylamino)-5-hydroxydodecyl]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(4S,5R)-4-(caproylamino)-5-hydroxy-dodecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C23H50N2O5P+ MolecularWeight: 465.627261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

Isomeric SMILES

CCCCCCC[C@H]([C@H](CCCP(=O)(O)OCC[N+](C)(C)C)NC(=O)CCCCC)O

InChI

InChI=1S/C23H49N2O5P/c1-6-8-10-11-13-16-22(26)21(24-23(27)17-12-9-7-2)15-14-20-31(28,29)30-19-18-25(3,4)5/h21-22,26H,6-20H2,1-5H3,(H-,24,27,28,29)/p+1/t21-,22+/m0/s1