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

Systemtic Name: dimethyl-[2-[5-methyl-4-(phenylcarbonyloxy)-2-propan-2-yl-phenoxy]ethyl]azanium chloride Openeye Name: 2-(4-benzoyloxy-2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-ammonium chloride CAS Name: 2-(4-benzoyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylammonium chloride IUPAC Name: 2-(4-benzoyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride Traditional Name: 2-(4-benzoyloxy-2-isopropyl-5-methyl-phenoxy)ethyl-dimethyl-ammonium chloride Formula: C21H28ClNO3 MolecularWeight: 377.90492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3.ClH/c1-15(2)18-14-19(25-21(23)17-9-7-6-8-10-17)16(3)13-20(18)24-12-11-22(4)5;/h6-10,13-15H,11-12H2,1-5H3;1H