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

Systemtic Name: [3-[2,3-bis(oxidanyl)propoxy]phenyl]-ethyl-dimethyl-azanium bromide Openeye Name: [3-(2,3-dihydroxypropoxy)phenyl]-ethyl-dimethyl-ammonium bromide CAS Name: [3-(2,3-dihydroxypropoxy)phenyl]-ethyl-dimethylammonium bromide IUPAC Name: [3-(2,3-dihydroxypropoxy)phenyl]-ethyl-dimethylazanium bromide Traditional Name: ethyl-(3-glyceryloxyphenyl)-dimethyl-ammonium bromide Formula: C13H22BrNO3 MolecularWeight: 320.22268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22NO3.BrH/c1-4-14(2,3)11-6-5-7-13(8-11)17-10-12(16)9-15;/h5-8,12,15-16H,4,9-10H2,1-3H3;1H/q+1;/p-1