2-chloranylethanamide; 1-methyl-2,3-dihydropyridin-3-ylium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-chloranylethanamide; 1-methyl-2,3-dihydropyridin-3-ylium; tris(fluoranyl)methanesulfonate Openeye Name: 2-chloroacetamide; 1-methyl-2,3-dihydropyridin-3-ylium; trifluoromethanesulfonate CAS Name: 2-chloroacetamide; 1-methyl-2,3-dihydropyridin-3-ylium; trifluoromethanesulfonate IUPAC Name: 2-chloroacetamide; 1-methyl-2,3-dihydropyridin-3-ylium; trifluoromethanesulfonate Traditional Name: 2-chloroacetamide; 1-methyl-2,3-dihydropyridin-3-ylium; triflate Formula: C9H12ClF3N2O4S MolecularWeight: 336.71579

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[C+]=CC=C1.C(C(=O)N)Cl.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CN1C[C+]=CC=C1.C(C(=O)N)Cl.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C6H8N.C2H4ClNO.CHF3O3S/c1-7-5-3-2-4-6-7;3-1-2(4)5;2-1(3,4)8(5,6)7/h2-3,5H,6H2,1H3;1H2,(H2,4,5);(H,5,6,7)/q+1;;/p-1