[(E)-18-methoxy-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]-trimethyl-azanium

Systemtic Name: [(E)-18-methoxy-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]-trimethyl-azanium Openeye Name: [(E)-2-hydroxy-13-methoxy-13-oxo-1-pentyl-tridec-4-enyl]-trimethyl-ammonium CAS Name: [(E)-7-hydroxy-18-methoxy-18-oxooctadec-9-en-6-yl]-trimethylammonium IUPAC Name: [(E)-7-hydroxy-18-methoxy-18-oxooctadec-9-en-6-yl]-trimethylazanium Traditional Name: [(E)-1-amyl-2-hydroxy-13-keto-13-methoxy-tridec-4-enyl]-trimethyl-ammonium Formula: C22H44NO3+ MolecularWeight: 370.58966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC=CCCCCCCCC(=O)OC)O)[N+](C)(C)C

Isomeric SMILES

CCCCCC(C(C/C=C/CCCCCCCC(=O)OC)O)[N+](C)(C)C

InChI

InChI=1S/C22H44NO3/c1-6-7-14-17-20(23(2,3)4)21(24)18-15-12-10-8-9-11-13-16-19-22(25)26-5/h12,15,20-21,24H,6-11,13-14,16-19H2,1-5H3/q+1/b15-12+