1-butyl-3-methyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-butyl-3-methyl-pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-butyl-3-methyl-pyridin-1-ium; trifluoromethanesulfonate CAS Name: 1-butyl-3-methylpyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-butyl-3-methylpyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-butyl-3-methyl-pyridin-1-ium triflate Formula: C11H16F3NO3S MolecularWeight: 299.30985

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=CC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C10H16N.CHF3O3S/c1-3-4-7-11-8-5-6-10(2)9-11;2-1(3,4)8(5,6)7/h5-6,8-9H,3-4,7H2,1-2H3;(H,5,6,7)/q+1;/p-1