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1-benzofuran-2-ylmethyl-ethyl-methyl-[7-(triethylazaniumyl)heptyl]azanium diiodide
1-benzofuran-2-ylmethyl-ethyl-methyl-[7-(triethylazaniumyl)heptyl]azanium diiodide
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Descriptors Computed from Structure
Canonical SMILES:
CC[N+](C)(CCCCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.[I-].[I-]
Isomeric SMILES
CC[N+](C)(CCCCCCC[N+](CC)(CC)CC)CC1=CC2=CC=CC=C2O1.[I-].[I-]
InChI
InChI=1S/C25H44N2O.2HI/c1-6-26(5,22-24-21-23-17-13-14-18-25(23)28-24)19-15-11-10-12-16-20-27(7-2,8-3)9-4;;/h13-14,17-18,21H,6-12,15-16,19-20,22H2,1-5H3;2*1H/q+2;;/p-2
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