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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C.[I-].[I-]

InChI

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