(5S)-1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one; tris(fluoranyl)methanesulfonate

Systemtic Name: (5S)-1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one; tris(fluoranyl)methanesulfonate Openeye Name: (5S)-1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one; trifluoromethanesulfonate CAS Name: (5S)-1-methyl-5-(1-methyl-3-pyridin-1-iumyl)-2-pyrrolidinone; trifluoromethanesulfonate IUPAC Name: (5S)-1-methyl-5-(1-methylpyridin-1-ium-3-yl)pyrrolidin-2-one; trifluoromethanesulfonate Traditional Name: (5S)-1-methyl-5-(1-methylpyridin-1-ium-3-yl)-2-pyrrolidone triflate Formula: C12H15F3N2O4S MolecularWeight: 340.31871

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CCC1=O)C2=C[N+](=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1[C@@H](CCC1=O)C2=C[N+](=CC=C2)C.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C11H15N2O.CHF3O3S/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2;2-1(3,4)8(5,6)7/h3-4,7-8,10H,5-6H2,1-2H3;(H,5,6,7)/q+1;/p-1/t10-;/m0./s1