1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxy-methanimine; tris(fluoranyl)methanesulfonate

Systemtic Name: 1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxy-methanimine; tris(fluoranyl)methanesulfonate Openeye Name: N-benzyloxy-1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-methanimine; trifluoromethanesulfonate CAS Name: 1-(1-methyl-2-pyridin-1-iumyl)-1-phenyl-N-phenylmethoxymethanimine; trifluoromethanesulfonate IUPAC Name: 1-(1-methylpyridin-1-ium-2-yl)-1-phenyl-N-phenylmethoxymethanimine; trifluoromethanesulfonate Traditional Name: (E)-benzoxy-[(1-methylpyridin-1-ium-2-yl)-phenyl-methylene]amine triflate Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C(=NOCC2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C(=N/OCC2=CC=CC=C2)/C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C20H19N2O.CHF3O3S/c1-22-15-9-8-14-19(22)20(18-12-6-3-7-13-18)21-23-16-17-10-4-2-5-11-17;2-1(3,4)8(5,6)7/h2-15H,16H2,1H3;(H,5,6,7)/q+1;/p-1/b21-20+;