2-[[[(2S)-2,3-di(hexanoyloxy)propyl]amino]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium

Systemtic Name: 2-[[[(2S)-2,3-di(hexanoyloxy)propyl]amino]-oxidanyl-phosphoryl]oxyethyl-trimethyl-azanium Openeye Name: 2-[[[(2S)-2,3-di(hexanoyloxy)propyl]amino]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[[[(2S)-2,3-bis(1-oxohexoxy)propyl]amino]-hydroxyphosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[[[(2S)-2,3-di(hexanoyloxy)propyl]amino]-hydroxyphosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[[[(2S)-2,3-dicaproyloxypropyl]amino]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium Formula: C20H42N2O7P+ MolecularWeight: 453.530441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(CNP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC[C@H](CNP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCC

InChI

InChI=1S/C20H41N2O7P/c1-6-8-10-12-19(23)27-17-18(29-20(24)13-11-9-7-2)16-21-30(25,26)28-15-14-22(3,4)5/h18H,6-17H2,1-5H3,(H-,21,25,26)/p+1/t18-/m0/s1