2-[4-(4-bromophenyl)carbonyloxy-5-methyl-2-propan-2-yl-phenoxy]ethyl-dimethyl-azanium chloride

Systemtic Name: 2-[4-(4-bromophenyl)carbonyloxy-5-methyl-2-propan-2-yl-phenoxy]ethyl-dimethyl-azanium chloride Openeye Name: 2-[4-(4-bromobenzoyl)oxy-2-isopropyl-5-methyl-phenoxy]ethyl-dimethyl-ammonium chloride CAS Name: 2-[4-[(4-bromophenyl)-oxomethoxy]-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylammonium chloride IUPAC Name: 2-[4-(4-bromobenzoyl)oxy-5-methyl-2-propan-2-ylphenoxy]ethyl-dimethylazanium chloride Traditional Name: 2-[4-(4-bromobenzoyl)oxy-2-isopropyl-5-methyl-phenoxy]ethyl-dimethyl-ammonium chloride Formula: C21H27BrClNO3 MolecularWeight: 456.80098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)Br)C(C)C)OCC[NH+](C)C.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1OC(=O)C2=CC=C(C=C2)Br)C(C)C)OCC[NH+](C)C.[Cl-]

InChI

InChI=1S/C21H26BrNO3.ClH/c1-14(2)18-13-19(15(3)12-20(18)25-11-10-23(4)5)26-21(24)16-6-8-17(22)9-7-16;/h6-9,12-14H,10-11H2,1-5H3;1H