2-fluoranyl-1-methyl-pyridin-1-ium; methylbenzene; sulfate

Systemtic Name: 2-fluoranyl-1-methyl-pyridin-1-ium; methylbenzene; sulfate Openeye Name: 2-fluoro-1-methyl-pyridin-1-ium; toluene; sulfate CAS Name: 2-fluoro-1-methylpyridin-1-ium; toluene; sulfate IUPAC Name: 2-fluoro-1-methylpyridin-1-ium; toluene; sulfate Traditional Name: 2-fluoro-1-methyl-pyridin-1-ium; toluene; sulfate Formula: C19H22F2N2O4S MolecularWeight: 412.450786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1.C[N+]1=CC=CC=C1F.C[N+]1=CC=CC=C1F.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C7H8.2C6H7FN.H2O4S/c1-7-5-3-2-4-6-7;2*1-8-5-3-2-4-6(8)7;1-5(2,3)4/h2-6H,1H3;2*2-5H,1H3;(H2,1,2,3,4)/q;2*+1;/p-2