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

Systemtic Name: 10-[4-[(4-dodecylphenyl)diazenyl]phenoxy]decyl-dimethyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-[10-[4-(4-dodecylphenyl)azophenoxy]decyl]-dimethyl-ammonium bromide CAS Name: 10-[4-(4-dodecylphenyl)azophenoxy]decyl-dimethyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-[10-[4-[(4-dodecylphenyl)diazenyl]phenoxy]decyl]-dimethylazanium bromide Traditional Name: benzyl-[10-[4-(4-laurylphenyl)azophenoxy]decyl]-dimethyl-ammonium bromide Formula: C43H66BrN3O MolecularWeight: 720.90764

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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)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCC[N+](C)(C)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C43H66N3O.BrH/c1-4-5-6-7-8-9-10-13-16-20-25-39-28-30-41(31-29-39)44-45-42-32-34-43(35-33-42)47-37-24-18-15-12-11-14-17-23-36-46(2,3)38-40-26-21-19-22-27-40;/h19,21-22,26-35H,4-18,20,23-25,36-38H2,1-3H3;1H/q+1;/p-1