(2-heptanoyloxyphenyl)-trimethyl-azanium bromide

Systemtic Name: (2-heptanoyloxyphenyl)-trimethyl-azanium bromide Openeye Name: (2-heptanoyloxyphenyl)-trimethyl-ammonium bromide CAS Name: trimethyl-[2-(1-oxoheptoxy)phenyl]ammonium bromide IUPAC Name: (2-heptanoyloxyphenyl)-trimethylazanium bromide Traditional Name: (2-enanthyloxyphenyl)-trimethyl-ammonium bromide Formula: C16H26BrNO2 MolecularWeight: 344.28714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)OC1=CC=CC=C1[N+](C)(C)C.[Br-]

Isomeric SMILES

CCCCCCC(=O)OC1=CC=CC=C1[N+](C)(C)C.[Br-]

InChI

InChI=1S/C16H26NO2.BrH/c1-5-6-7-8-13-16(18)19-15-12-10-9-11-14(15)17(2,3)4;/h9-12H,5-8,13H2,1-4H3;1H/q+1;/p-1