dodecyl-[2-[(E)-18-methoxy-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]oxy-2-oxidanylidene-ethyl]-dimethyl-azanium bromide

Systemtic Name: dodecyl-[2-[(E)-18-methoxy-7-oxidanyl-18-oxidanylidene-octadec-9-en-6-yl]oxy-2-oxidanylidene-ethyl]-dimethyl-azanium bromide Openeye Name: dodecyl-[2-[(E)-2-hydroxy-13-methoxy-13-oxo-1-pentyl-tridec-4-enoxy]-2-oxo-ethyl]-dimethyl-ammonium bromide CAS Name: dodecyl-[2-[(E)-7-hydroxy-18-methoxy-18-oxooctadec-9-en-6-yl]oxy-2-oxoethyl]-dimethylammonium bromide IUPAC Name: dodecyl-[2-[(E)-7-hydroxy-18-methoxy-18-oxooctadec-9-en-6-yl]oxy-2-oxoethyl]-dimethylazanium bromide Traditional Name: [2-[(E)-1-amyl-2-hydroxy-13-keto-13-methoxy-tridec-4-enoxy]-2-keto-ethyl]-lauryl-dimethyl-ammonium bromide Formula: C35H68BrNO5 MolecularWeight: 662.82212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC(=O)OC(CCCCC)C(CC=CCCCCCCCC(=O)OC)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC(=O)OC(CCCCC)C(C/C=C/CCCCCCCC(=O)OC)O.[Br-]

InChI

InChI=1S/C35H68NO5.BrH/c1-6-8-10-11-12-13-16-19-22-26-30-36(3,4)31-35(39)41-33(28-23-9-7-2)32(37)27-24-20-17-14-15-18-21-25-29-34(38)40-5;/h20,24,32-33,37H,6-19,21-23,25-31H2,1-5H3;1H/q+1;/p-1/b24-20+;