N,1-dimethyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate

Systemtic Name: N,1-dimethyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide; tris(fluoranyl)methanesulfonate Openeye Name: N,1-dimethyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide; trifluoromethanesulfonate CAS Name: N,1-dimethyl-4,6-diphenyl-2-pyridin-1-iumcarboxamide; trifluoromethanesulfonate IUPAC Name: N,1-dimethyl-4,6-diphenylpyridin-1-ium-2-carboxamide; trifluoromethanesulfonate Traditional Name: N,1-dimethyl-4,6-diphenyl-pyridin-1-ium-2-carboxamide triflate Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CNC(=O)C1=CC(=CC(=[N+]1C)C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H18N2O.CHF3O3S/c1-21-20(23)19-14-17(15-9-5-3-6-10-15)13-18(22(19)2)16-11-7-4-8-12-16;2-1(3,4)8(5,6)7/h3-14H,1-2H3;(H,5,6,7)