2-[[(3R,4S)-3-(hexanoylamino)-4-oxidanyl-undecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[(3R,4S)-3-(hexanoylamino)-4-oxidanyl-undecyl]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[(3R,4S)-3-(hexanoylamino)-4-hydroxy-undecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(3R,4S)-4-hydroxy-3-(1-oxohexylamino)undecyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[(3R,4S)-3-(hexanoylamino)-4-hydroxyundecyl]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[(3R,4S)-3-(caproylamino)-4-hydroxy-undecyl]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C22H48N2O5P+ MolecularWeight: 451.600681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H47N2O5P/c1-6-8-10-11-13-14-21(25)20(23-22(26)15-12-9-7-2)16-19-30(27,28)29-18-17-24(3,4)5/h20-21,25H,6-19H2,1-5H3,(H-,23,26,27,28)/p+1/t20-,21+/m1/s1