(6-ethoxy-6-oxidanylidene-hexyl)-(3-ethylhexadecan-3-yl)azanium bromide

Systemtic Name: (6-ethoxy-6-oxidanylidene-hexyl)-(3-ethylhexadecan-3-yl)azanium bromide Openeye Name: 1,1-diethyltetradecyl-(6-ethoxy-6-oxo-hexyl)ammonium bromide CAS Name: (6-ethoxy-6-oxohexyl)-(3-ethylhexadecan-3-yl)ammonium bromide IUPAC Name: (6-ethoxy-6-oxohexyl)-(3-ethylhexadecan-3-yl)azanium bromide Traditional Name: 1,1-diethyltetradecyl-(6-ethoxy-6-keto-hexyl)ammonium bromide Formula: C26H54BrNO2 MolecularWeight: 492.61646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(CC)(CC)[NH2+]CCCCCC(=O)OCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCC(CC)(CC)[NH2+]CCCCCC(=O)OCC.[Br-]

InChI

InChI=1S/C26H53NO2.BrH/c1-5-9-10-11-12-13-14-15-16-17-20-23-26(6-2,7-3)27-24-21-18-19-22-25(28)29-8-4;/h27H,5-24H2,1-4H3;1H