trimethyl-[2-[[(E)-3-(octadecanoylamino)-4-oxidanyl-nonadec-5-enyl]-oxidanyl-phosphoryl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[[(E)-3-(octadecanoylamino)-4-oxidanyl-nonadec-5-enyl]-oxidanyl-phosphoryl]oxyethyl]azanium Openeye Name: 2-[hydroxy-[(E)-4-hydroxy-3-(octadecanoylamino)nonadec-5-enyl]phosphoryl]oxyethyl-trimethyl-ammonium CAS Name: 2-[hydroxy-[(E)-4-hydroxy-3-(1-oxooctadecylamino)nonadec-5-enyl]phosphoryl]oxyethyl-trimethylammonium IUPAC Name: 2-[hydroxy-[(E)-4-hydroxy-3-(octadecanoylamino)nonadec-5-enyl]phosphoryl]oxyethyl-trimethylazanium Traditional Name: 2-[hydroxy-[(E)-4-hydroxy-3-stearamido-nonadec-5-enyl]phosphoryl]oxyethyl-trimethyl-ammonium Formula: C42H86N2O5P+ MolecularWeight: 730.116401

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCP(=O)(O)OCC[N+](C)(C)C)C(C=CCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCP(=O)(O)OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C42H85N2O5P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(46)43-40(36-39-50(47,48)49-38-37-44(3,4)5)41(45)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,40-41,45H,6-31,33,35-39H2,1-5H3,(H-,43,46,47,48)/p+1/b34-32+