[2,2-dimethyl-3-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]propyl]-diethyl-methyl-azanium iodide

Systemtic Name: [2,2-dimethyl-3-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]propyl]-diethyl-methyl-azanium iodide Openeye Name: [2,2-dimethyl-3-(3-methylbenzofuran-2-carbonyl)oxy-propyl]-diethyl-methyl-ammonium iodide CAS Name: [2,2-dimethyl-3-[(3-methyl-2-benzofuranyl)-oxomethoxy]propyl]-diethyl-methylammonium iodide IUPAC Name: [2,2-dimethyl-3-(3-methyl-1-benzofuran-2-carbonyl)oxypropyl]-diethyl-methylazanium iodide Traditional Name: [2,2-dimethyl-3-(3-methylbenzofuran-2-carbonyl)oxy-propyl]-diethyl-methyl-ammonium iodide Formula: C20H30INO3 MolecularWeight: 459.36157

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CC(C)(C)COC(=O)C1=C(C2=CC=CC=C2O1)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CC(C)(C)COC(=O)C1=C(C2=CC=CC=C2O1)C.[I-]

InChI

InChI=1S/C20H30NO3.HI/c1-7-21(6,8-2)13-20(4,5)14-23-19(22)18-15(3)16-11-9-10-12-17(16)24-18;/h9-12H,7-8,13-14H2,1-6H3;1H/q+1;/p-1