4-fluoranyl-1-methyl-1,4-diazoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate; fluoride

Systemtic Name: 4-fluoranyl-1-methyl-1,4-diazoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate; fluoride Openeye Name: 4-fluoro-1-methyl-1,4-diazoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate; fluoride CAS Name: 4-fluoro-1-methyl-1,4-diazoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate; fluoride IUPAC Name: 4-fluoro-1-methyl-1,4-diazoniabicyclo[2.2.2]octane; 4-methylbenzenesulfonate; fluoride Traditional Name: 4-fluoro-1-methyl-1,4-diazoniabicyclo[2.2.2]octane fluoride tosylate Formula: C14H22F2N2O3S MolecularWeight: 336.397886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CC[N+](CC1)(CC2)F.[F-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CC[N+](CC1)(CC2)F.[F-]

InChI

InChI=1S/C7H15FN2.C7H8O3S.FH/c1-9-2-5-10(8,6-3-9)7-4-9;1-6-2-4-7(5-3-6)11(8,9)10;/h2-7H2,1H3;2-5H,1H3,(H,8,9,10);1H/q+2;;/p-2