[3-[2,3-bis(oxidanyl)propoxy]phenyl]-trimethyl-azanium bromide

Systemtic Name: [3-[2,3-bis(oxidanyl)propoxy]phenyl]-trimethyl-azanium bromide Openeye Name: [3-(2,3-dihydroxypropoxy)phenyl]-trimethyl-ammonium bromide CAS Name: [3-(2,3-dihydroxypropoxy)phenyl]-trimethylammonium bromide IUPAC Name: [3-(2,3-dihydroxypropoxy)phenyl]-trimethylazanium bromide Traditional Name: (3-glyceryloxyphenyl)-trimethyl-ammonium bromide Formula: C12H20BrNO3 MolecularWeight: 306.1961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC(=CC=C1)OCC(CO)O.[Br-]

Isomeric SMILES

C[N+](C)(C)C1=CC(=CC=C1)OCC(CO)O.[Br-]

InChI

InChI=1S/C12H20NO3.BrH/c1-13(2,3)10-5-4-6-12(7-10)16-9-11(15)8-14;/h4-7,11,14-15H,8-9H2,1-3H3;1H/q+1;/p-1