(4-bromophenyl)methyl-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]-dimethyl-azanium chloride

Systemtic Name: (4-bromophenyl)methyl-[3-(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)propyl]-dimethyl-azanium chloride Openeye Name: (4-bromophenyl)methyl-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]-dimethyl-ammonium chloride CAS Name: (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylammonium chloride IUPAC Name: (4-bromophenyl)methyl-[3-(4-chloro-5-methyl-2-propan-2-ylphenoxy)propyl]-dimethylazanium chloride Traditional Name: (4-bromobenzyl)-[3-(4-chloro-2-isopropyl-5-methyl-phenoxy)propyl]-dimethyl-ammonium chloride Formula: C22H30BrCl2NO MolecularWeight: 475.2897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCCC[N+](C)(C)CC2=CC=C(C=C2)Br.[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCCC[N+](C)(C)CC2=CC=C(C=C2)Br.[Cl-]

InChI

InChI=1S/C22H30BrClNO.ClH/c1-16(2)20-14-21(24)17(3)13-22(20)26-12-6-11-25(4,5)15-18-7-9-19(23)10-8-18;/h7-10,13-14,16H,6,11-12,15H2,1-5H3;1H/q+1;/p-1