phenyl-[4-(phenylmethyl)pyridin-1-ium-1-yl]methanone; tris(fluoranyl)methanesulfonate

Systemtic Name: phenyl-[4-(phenylmethyl)pyridin-1-ium-1-yl]methanone; tris(fluoranyl)methanesulfonate Openeye Name: (4-benzylpyridin-1-ium-1-yl)-phenyl-methanone; trifluoromethanesulfonate CAS Name: phenyl-[4-(phenylmethyl)-1-pyridin-1-iumyl]methanone; trifluoromethanesulfonate IUPAC Name: (4-benzylpyridin-1-ium-1-yl)-phenylmethanone; trifluoromethanesulfonate Traditional Name: (4-benzylpyridin-1-ium-1-yl)-phenyl-methanone triflate Formula: C20H16F3NO4S MolecularWeight: 423.40555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C(=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C(=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C19H16NO.CHF3O3S/c21-19(18-9-5-2-6-10-18)20-13-11-17(12-14-20)15-16-7-3-1-4-8-16;2-1(3,4)8(5,6)7/h1-14H,15H2;(H,5,6,7)/q+1;/p-1