2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-azanium

Systemtic Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-azanium Openeye Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-ammonium CAS Name: 2,3-bis[(E)-1-oxooctadec-9-enoxy]propyl-(2-hydroxyethyl)-dimethylammonium IUPAC Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethylazanium Traditional Name: 2,3-bis[[(E)-octadec-9-enoyl]oxy]propyl-(2-hydroxyethyl)-dimethyl-ammonium Formula: C43H82NO5+ MolecularWeight: 693.11488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C[N+](C)(C)CCO)OC(=O)CCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C43H82NO5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-42(46)48-40-41(39-44(3,4)37-38-45)49-43(47)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,41,45H,5-18,23-40H2,1-4H3/q+1/b21-19+,22-20+