2,2-bis(oxidanyl)ethyl-methyl-[1-(2-octylphenoxy)ethyl]azanium bromide

Systemtic Name: 2,2-bis(oxidanyl)ethyl-methyl-[1-(2-octylphenoxy)ethyl]azanium bromide Openeye Name: 2,2-dihydroxyethyl-methyl-[1-(2-octylphenoxy)ethyl]ammonium bromide CAS Name: 2,2-dihydroxyethyl-methyl-[1-(2-octylphenoxy)ethyl]ammonium bromide IUPAC Name: 2,2-dihydroxyethyl-methyl-[1-(2-octylphenoxy)ethyl]azanium bromide Traditional Name: 2,2-dihydroxyethyl-methyl-[1-(2-octylphenoxy)ethyl]ammonium bromide Formula: C19H34BrNO3 MolecularWeight: 404.38216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC=C1OC(C)[NH+](C)CC(O)O.[Br-]

Isomeric SMILES

CCCCCCCCC1=CC=CC=C1OC(C)[NH+](C)CC(O)O.[Br-]

InChI

InChI=1S/C19H33NO3.BrH/c1-4-5-6-7-8-9-12-17-13-10-11-14-18(17)23-16(2)20(3)15-19(21)22;/h10-11,13-14,16,19,21-22H,4-9,12,15H2,1-3H3;1H