2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclohexan-1-one; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclohexan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclohexanone; trifluoromethanesulfonate CAS Name: 2-[(4-methyl-1-pyridin-1-iumyl)methyl]-1-cyclohexanone; trifluoromethanesulfonate IUPAC Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclohexan-1-one; trifluoromethanesulfonate Traditional Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclohexanone triflate Formula: C14H18F3NO4S MolecularWeight: 353.35723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2CCCCC2=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2CCCCC2=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C13H18NO.CHF3O3S/c1-11-6-8-14(9-7-11)10-12-4-2-3-5-13(12)15;2-1(3,4)8(5,6)7/h6-9,12H,2-5,10H2,1H3;(H,5,6,7)/q+1;/p-1