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

Systemtic Name: [4-(1-ethanoyl-3H-2-benzofuran-1-yl)-2-methyl-butan-2-yl]-dimethyl-azanium chloride Openeye Name: [3-(1-acetyl-3H-isobenzofuran-1-yl)-1,1-dimethyl-propyl]-dimethyl-ammonium chloride CAS Name: [4-(1-acetyl-3H-isobenzofuran-1-yl)-2-methylbutan-2-yl]-dimethylammonium chloride IUPAC Name: [4-(1-acetyl-3H-2-benzofuran-1-yl)-2-methylbutan-2-yl]-dimethylazanium chloride Traditional Name: [3-(1-acetylphthalan-1-yl)-1,1-dimethyl-propyl]-dimethyl-ammonium chloride Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2=CC=CC=C2CO1)CCC(C)(C)[NH+](C)C.[Cl-]

Isomeric SMILES

CC(=O)C1(C2=CC=CC=C2CO1)CCC(C)(C)[NH+](C)C.[Cl-]

InChI

InChI=1S/C17H25NO2.ClH/c1-13(19)17(11-10-16(2,3)18(4)5)15-9-7-6-8-14(15)12-20-17;/h6-9H,10-12H2,1-5H3;1H