10-[4-[(4-dodecylphenyl)diazenyl]phenoxy]decyl-(2-hydroxyethyl)-dimethyl-azanium bromide

Systemtic Name: 10-[4-[(4-dodecylphenyl)diazenyl]phenoxy]decyl-(2-hydroxyethyl)-dimethyl-azanium bromide Openeye Name: 10-[4-(4-dodecylphenyl)azophenoxy]decyl-(2-hydroxyethyl)-dimethyl-ammonium bromide CAS Name: 10-[4-(4-dodecylphenyl)azophenoxy]decyl-(2-hydroxyethyl)-dimethylammonium bromide IUPAC Name: 10-[4-[(4-dodecylphenyl)diazenyl]phenoxy]decyl-(2-hydroxyethyl)-dimethylazanium bromide Traditional Name: 2-hydroxyethyl-[10-[4-(4-laurylphenyl)azophenoxy]decyl]-dimethyl-ammonium bromide Formula: C38H64BrN3O2 MolecularWeight: 674.83766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCC[N+](C)(C)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCC[N+](C)(C)CCO.[Br-]

InChI

InChI=1S/C38H64N3O2.BrH/c1-4-5-6-7-8-9-10-13-16-19-22-35-23-25-36(26-24-35)39-40-37-27-29-38(30-28-37)43-34-21-18-15-12-11-14-17-20-31-41(2,3)32-33-42;/h23-30,42H,4-22,31-34H2,1-3H3;1H/q+1;/p-1