(E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enal; tris(fluoranyl)methanesulfonate

Systemtic Name: (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enal; tris(fluoranyl)methanesulfonate Openeye Name: (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enal; trifluoromethanesulfonate CAS Name: (E)-3-(1-methyl-4-pyridin-1-iumyl)-2-propenal; trifluoromethanesulfonate IUPAC Name: (E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enal; trifluoromethanesulfonate Traditional Name: (E)-3-(1-methylpyridin-1-ium-4-yl)acrolein triflate Formula: C10H10F3NO4S MolecularWeight: 297.25091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10NO.CHF3O3S/c1-10-6-4-9(5-7-10)3-2-8-11;2-1(3,4)8(5,6)7/h2-8H,1H3;(H,5,6,7)/q+1;/p-1/b3-2+;