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1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide

1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide

Systemtic Name:1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide
Openeye Name:1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide
CAS Name:1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide
IUPAC Name:1,3-diethyl-2-methyl-6-(trifluoromethylsulfonyl)-3H-indol-1-ium iodide
Traditional Name:1,3-diethyl-2-methyl-6-triflyl-3H-indol-1-ium iodide
Formula: C14H17F3INO2S
MolecularWeight: 447.25496
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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=[N+](C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CC)C.[I-]


Isomeric SMILES

CCC1C(=[N+](C2=C1C=CC(=C2)S(=O)(=O)C(F)(F)F)CC)C.[I-]


InChI

InChI=1S/C14H17F3NO2S.HI/c1-4-11-9(3)18(5-2)13-8-10(6-7-12(11)13)21(19,20)14(15,16)17;/h6-8,11H,4-5H2,1-3H3;1H/q+1;/p-1


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