2-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxyethyl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: 2-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxyethyl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: 2-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxyethyl-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: 2-[(E)-3-(3,4-didodecoxyphenyl)-1-oxoprop-2-enoxy]ethyl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: 2-[(E)-3-(3,4-didodecoxyphenyl)prop-2-enoyl]oxyethyl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: 2-[(E)-3-(3,4-dilauryloxyphenyl)acryloyl]oxyethyl-(2-hydroxyethyl)-dimethyl-ammonium bromide Formula: C39H70BrNO5 MolecularWeight: 712.8808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC(=O)OCC[N+](C)(C)CCO)OCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)OCC[N+](C)(C)CCO)OCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C39H70NO5.BrH/c1-5-7-9-11-13-15-17-19-21-23-32-43-37-27-25-36(26-28-39(42)45-34-30-40(3,4)29-31-41)35-38(37)44-33-24-22-20-18-16-14-12-10-8-6-2;/h25-28,35,41H,5-24,29-34H2,1-4H3;1H/q+1;/p-1/b28-26+;