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

Systemtic Name: 2-hydroxyethyl-dimethyl-[10-[4-[(4-octoxyphenyl)diazenyl]phenoxy]decyl]azanium bromide Openeye Name: 2-hydroxyethyl-dimethyl-[10-[4-(4-octoxyphenyl)azophenoxy]decyl]ammonium bromide CAS Name: 2-hydroxyethyl-dimethyl-[10-[4-(4-octoxyphenyl)azophenoxy]decyl]ammonium bromide IUPAC Name: 2-hydroxyethyl-dimethyl-[10-[4-[(4-octoxyphenyl)diazenyl]phenoxy]decyl]azanium bromide Traditional Name: 2-hydroxyethyl-dimethyl-[10-[4-(4-octoxyphenyl)azophenoxy]decyl]ammonium bromide Formula: C34H56BrN3O3 MolecularWeight: 634.73074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCC[N+](C)(C)CCO.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)OCCCCCCCCCC[N+](C)(C)CCO.[Br-]

InChI

InChI=1S/C34H56N3O3.BrH/c1-4-5-6-7-13-16-29-39-33-22-18-31(19-23-33)35-36-32-20-24-34(25-21-32)40-30-17-14-11-9-8-10-12-15-26-37(2,3)27-28-38;/h18-25,38H,4-17,26-30H2,1-3H3;1H/q+1;/p-1