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