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1-benzofuran-2-ylmethyl-ethyl-methyl-[10-(triethylazaniumyl)decyl]azanium diiodide
1-benzofuran-2-ylmethyl-ethyl-methyl-[10-(triethylazaniumyl)decyl]azanium diiodide
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Descriptors Computed from Structure
Canonical SMILES:
CC[N+](C)(CCCCCCCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.[I-].[I-]
Isomeric SMILES
CC[N+](C)(CCCCCCCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.[I-].[I-]
InChI
InChI=1S/C28H50N2O.2HI/c1-6-29(5,25-27-24-26-20-16-17-21-28(26)31-27)22-18-14-12-10-11-13-15-19-23-30(7-2,8-3)9-4;;/h16-17,20-21,24H,6-15,18-19,22-23,25H2,1-5H3;2*1H/q+2;;/p-2
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