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

Systemtic Name: [(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-trimethyl-azanium Openeye Name: [(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]-trimethyl-ammonium CAS Name: [(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylammonium IUPAC Name: [(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-trimethylazanium Traditional Name: [(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]-trimethyl-ammonium Formula: C21H44NO2+ MolecularWeight: 342.57956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)[N+](C)(C)C)O

InChI

InChI=1S/C21H44NO2/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/q+1/b18-17+/t20-,21+/m0/s1