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

Systemtic Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclopentan-1-one; tris(fluoranyl)methanesulfonate Openeye Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclopentanone; trifluoromethanesulfonate CAS Name: 2-[(4-methyl-1-pyridin-1-iumyl)methyl]-1-cyclopentanone; trifluoromethanesulfonate IUPAC Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclopentan-1-one; trifluoromethanesulfonate Traditional Name: 2-[(4-methylpyridin-1-ium-1-yl)methyl]cyclopentanone triflate Formula: C13H16F3NO4S MolecularWeight: 339.33065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC2CCCC2=O.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC2CCCC2=O.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C12H16NO.CHF3O3S/c1-10-5-7-13(8-6-10)9-11-3-2-4-12(11)14;2-1(3,4)8(5,6)7/h5-8,11H,2-4,9H2,1H3;(H,5,6,7)/q+1;/p-1