dibutyl-[2-[2-(2-chloranyl-4-phenyl-phenoxy)ethoxy]ethyl]-methyl-azanium chloride

Systemtic Name: dibutyl-[2-[2-(2-chloranyl-4-phenyl-phenoxy)ethoxy]ethyl]-methyl-azanium chloride Openeye Name: dibutyl-[2-[2-(2-chloro-4-phenyl-phenoxy)ethoxy]ethyl]-methyl-ammonium chloride CAS Name: dibutyl-[2-[2-(2-chloro-4-phenylphenoxy)ethoxy]ethyl]-methylammonium chloride IUPAC Name: dibutyl-[2-[2-(2-chloro-4-phenylphenoxy)ethoxy]ethyl]-methylazanium chloride Traditional Name: dibutyl-[2-[2-(2-chloro-4-phenyl-phenoxy)ethoxy]ethyl]-methyl-ammonium chloride Formula: C25H37Cl2NO2 MolecularWeight: 454.47278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CCOCCOC1=C(C=C(C=C1)C2=CC=CC=C2)Cl.[Cl-]

Isomeric SMILES

CCCC[N+](C)(CCCC)CCOCCOC1=C(C=C(C=C1)C2=CC=CC=C2)Cl.[Cl-]

InChI

InChI=1S/C25H37ClNO2.ClH/c1-4-6-15-27(3,16-7-5-2)17-18-28-19-20-29-25-14-13-23(21-24(25)26)22-11-9-8-10-12-22;/h8-14,21H,4-7,15-20H2,1-3H3;1H/q+1;/p-1