2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate; tris(fluoranyl)methanesulfonate Openeye Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate; trifluoromethanesulfonate CAS Name: 2-ammonio-6-(2,4,6-trimethyl-1-pyridin-1-iumyl)hexanoate; trifluoromethanesulfonate IUPAC Name: 2-azaniumyl-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate; trifluoromethanesulfonate Traditional Name: 2-ammonio-6-(2,4,6-trimethylpyridin-1-ium-1-yl)hexanoate triflate Formula: C15H23F3N2O5S MolecularWeight: 400.41373

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1)C)CCCCC(C(=O)[O-])[NH3+])C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=[N+](C(=C1)C)CCCCC(C(=O)[O-])[NH3+])C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H22N2O2.CHF3O3S/c1-10-8-11(2)16(12(3)9-10)7-5-4-6-13(15)14(17)18;2-1(3,4)8(5,6)7/h8-9,13H,4-7,15H2,1-3H3;(H,5,6,7)