bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethyl-azanium iodide

Systemtic Name: bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethyl-azanium iodide Openeye Name: bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethyl-ammonium iodide CAS Name: bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethylammonium iodide IUPAC Name: bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethylazanium iodide Traditional Name: bis[(E)-octadec-9-enoxy]phosphorylmethyl-trimethyl-ammonium iodide Formula: C40H81INO3P MolecularWeight: 781.954271

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOP(=O)(C[N+](C)(C)C)OCCCCCCCCC=CCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOP(=O)(OCCCCCCCC/C=C/CCCCCCCC)C[N+](C)(C)C.[I-]

InChI

InChI=1S/C40H81NO3P.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-43-45(42,40-41(3,4)5)44-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23H,6-19,24-40H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;