3-(1-ethanoyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methyl-azanium chloride

Systemtic Name: 3-(1-ethanoyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methyl-azanium chloride Openeye Name: 3-(1-acetyl-3,3-dimethyl-isobenzofuran-1-yl)propyl-methyl-ammonium chloride CAS Name: 3-(1-acetyl-3,3-dimethyl-1-isobenzofuranyl)propyl-methylammonium chloride IUPAC Name: 3-(1-acetyl-3,3-dimethyl-2-benzofuran-1-yl)propyl-methylazanium chloride Traditional Name: 3-(1-acetyl-3,3-dimethyl-phthalan-1-yl)propyl-methyl-ammonium chloride Formula: C16H24ClNO2 MolecularWeight: 297.82026

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCC[NH2+]C.[Cl-]

Isomeric SMILES

CC(=O)C1(C2=CC=CC=C2C(O1)(C)C)CCC[NH2+]C.[Cl-]

InChI

InChI=1S/C16H23NO2.ClH/c1-12(18)16(10-7-11-17-4)14-9-6-5-8-13(14)15(2,3)19-16;/h5-6,8-9,17H,7,10-11H2,1-4H3;1H