Benzethonium Chloride (CAS NO : 121-54-0)

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Chemical Properties & Specifications

Canonical Smiles

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]

Inchi Key

UREZNYTWGJKWBI-UHFFFAOYSA-M

Inchi

InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

CAS Number

121-54-0

Molecular Formula

C27H42NO2.Cl

IUPAC

benzyl-dimethyl-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethyl]azanium;chloride