trimethyl-[2-[(5-methyl-1-benzofuran-2-yl)carbonyloxy]-3-(trimethylazaniumyl)propyl]azanium diiodide

Systemtic Name: trimethyl-[2-[(5-methyl-1-benzofuran-2-yl)carbonyloxy]-3-(trimethylazaniumyl)propyl]azanium diiodide Openeye Name: trimethyl-[2-(5-methylbenzofuran-2-carbonyl)oxy-3-(trimethylammonio)propyl]ammonium diiodide CAS Name: trimethyl-[2-[(5-methyl-2-benzofuranyl)-oxomethoxy]-3-(trimethylammonio)propyl]ammonium diiodide IUPAC Name: trimethyl-[2-(5-methyl-1-benzofuran-2-carbonyl)oxy-3-(trimethylazaniumyl)propyl]azanium diiodide Traditional Name: trimethyl-[2-(5-methylbenzofuran-2-carbonyl)oxy-3-(trimethylammonio)propyl]ammonium diiodide Formula: C19H30I2N2O3 MolecularWeight: 588.26204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

InChI

InChI=1S/C19H30N2O3.2HI/c1-14-8-9-17-15(10-14)11-18(24-17)19(22)23-16(12-20(2,3)4)13-21(5,6)7;;/h8-11,16H,12-13H2,1-7H3;2*1H/q+2;;/p-2