[(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-trimethyl-azanium iodide

Systemtic Name: [(E)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-trimethyl-azanium iodide Openeye Name: [(E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]-trimethyl-ammonium iodide CAS Name: [(E)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylammonium iodide IUPAC Name: [(E)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium iodide Traditional Name: [(E)-2-hydroxy-1-methylol-heptadec-3-enyl]-trimethyl-ammonium iodide Formula: C21H44INO2 MolecularWeight: 469.48403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)[N+](C)(C)C)O.[I-]

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)[N+](C)(C)C)O.[I-]

InChI

InChI=1S/C21H44NO2.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)20(19-23)22(2,3)4;/h17-18,20-21,23-24H,5-16,19H2,1-4H3;1H/q+1;/p-1/b18-17+;