2-hydroxyethyl-dimethyl-[12-[4-[(4-octadecoxyphenyl)diazenyl]phenoxy]dodecyl]azanium bromide

Systemtic Name: 2-hydroxyethyl-dimethyl-[12-[4-[(4-octadecoxyphenyl)diazenyl]phenoxy]dodecyl]azanium bromide Openeye Name: 2-hydroxyethyl-dimethyl-[12-[4-(4-octadecoxyphenyl)azophenoxy]dodecyl]ammonium bromide CAS Name: 2-hydroxyethyl-dimethyl-[12-[4-(4-octadecoxyphenyl)azophenoxy]dodecyl]ammonium bromide IUPAC Name: 2-hydroxyethyl-dimethyl-[12-[4-[(4-octadecoxyphenyl)diazenyl]phenoxy]dodecyl]azanium bromide Traditional Name: 2-hydroxyethyl-dimethyl-[12-[4-(4-stearyloxyphenyl)azophenoxy]dodecyl]ammonium bromide Formula: C46H80BrN3O3 MolecularWeight: 803.0497

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCCCC[N+](C)(C)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCCCC[N+](C)(C)CCO.[Br-]

InChI

InChI=1S/C46H80N3O3.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-16-19-22-25-28-41-51-45-34-30-43(31-35-45)47-48-44-32-36-46(37-33-44)52-42-29-26-23-20-17-15-18-21-24-27-38-49(2,3)39-40-50;/h30-37,50H,4-29,38-42H2,1-3H3;1H/q+1;/p-1