dimethyl-(phenylmethyl)-[(3,4,5-tridodecoxyphenyl)methyl]azanium bromide

Systemtic Name: dimethyl-(phenylmethyl)-[(3,4,5-tridodecoxyphenyl)methyl]azanium bromide Openeye Name: benzyl-dimethyl-[(3,4,5-tridodecoxyphenyl)methyl]ammonium bromide CAS Name: dimethyl-(phenylmethyl)-[(3,4,5-tridodecoxyphenyl)methyl]ammonium bromide IUPAC Name: benzyl-dimethyl-[(3,4,5-tridodecoxyphenyl)methyl]azanium bromide Traditional Name: benzyl-dimethyl-(3,4,5-trilauryloxybenzyl)ammonium bromide Formula: C52H92BrNO3 MolecularWeight: 859.19578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C[N+](C)(C)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C[N+](C)(C)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C52H92NO3.BrH/c1-6-9-12-15-18-21-24-27-30-36-41-54-50-44-49(47-53(4,5)46-48-39-34-33-35-40-48)45-51(55-42-37-31-28-25-22-19-16-13-10-7-2)52(50)56-43-38-32-29-26-23-20-17-14-11-8-3;/h33-35,39-40,44-45H,6-32,36-38,41-43,46-47H2,1-5H3;1H/q+1;/p-1