N-[(2S)-1-methoxy-3-methyl-butan-2-yl]-1-(4-methoxypyridin-1-ium-1-yl)-1-phenyl-methanimine; tris(fluoranyl)methanesulfonate

Systemtic Name: N-[(2S)-1-methoxy-3-methyl-butan-2-yl]-1-(4-methoxypyridin-1-ium-1-yl)-1-phenyl-methanimine; tris(fluoranyl)methanesulfonate Openeye Name: N-[(1S)-1-(methoxymethyl)-2-methyl-propyl]-1-(4-methoxypyridin-1-ium-1-yl)-1-phenyl-methanimine; trifluoromethanesulfonate CAS Name: N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1-(4-methoxy-1-pyridin-1-iumyl)-1-phenylmethanimine; trifluoromethanesulfonate IUPAC Name: N-[(2S)-1-methoxy-3-methylbutan-2-yl]-1-(4-methoxypyridin-1-ium-1-yl)-1-phenylmethanimine; trifluoromethanesulfonate Traditional Name: [(1S)-1-(methoxymethyl)-2-methyl-propyl]-[(4-methoxypyridin-1-ium-1-yl)-phenyl-methylene]amine triflate Formula: C20H25F3N2O5S MolecularWeight: 462.48311

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(COC)N=C(C1=CC=CC=C1)[N+]2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)[C@@H](COC)N=C(C1=CC=CC=C1)[N+]2=CC=C(C=C2)OC.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H25N2O2.CHF3O3S/c1-15(2)18(14-22-3)20-19(16-8-6-5-7-9-16)21-12-10-17(23-4)11-13-21;2-1(3,4)8(5,6)7/h5-13,15,18H,14H2,1-4H3;(H,5,6,7)/q+1;/p-1/t18-;/m1./s1