dimethyl-[2-methyl-4-[1-(phenylcarbonyl)-3H-2-benzofuran-1-yl]butan-2-yl]azanium chloride

Systemtic Name: dimethyl-[2-methyl-4-[1-(phenylcarbonyl)-3H-2-benzofuran-1-yl]butan-2-yl]azanium chloride Openeye Name: [3-(1-benzoyl-3H-isobenzofuran-1-yl)-1,1-dimethyl-propyl]-dimethyl-ammonium chloride CAS Name: [4-(1-benzoyl-3H-isobenzofuran-1-yl)-2-methylbutan-2-yl]-dimethylammonium chloride IUPAC Name: [4-(1-benzoyl-3H-2-benzofuran-1-yl)-2-methylbutan-2-yl]-dimethylazanium chloride Traditional Name: [3-(1-benzoylphthalan-1-yl)-1,1-dimethyl-propyl]-dimethyl-ammonium chloride Formula: C22H28ClNO2 MolecularWeight: 373.91622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC1(C2=CC=CC=C2CO1)C(=O)C3=CC=CC=C3)[NH+](C)C.[Cl-]

Isomeric SMILES

CC(C)(CCC1(C2=CC=CC=C2CO1)C(=O)C3=CC=CC=C3)[NH+](C)C.[Cl-]

InChI

InChI=1S/C22H27NO2.ClH/c1-21(2,23(3)4)14-15-22(20(24)17-10-6-5-7-11-17)19-13-9-8-12-18(19)16-25-22;/h5-13H,14-16H2,1-4H3;1H