4-methoxy-2-methyl-1-(phenylmethyl)pyridin-1-ium-3-ol; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-methoxy-2-methyl-1-(phenylmethyl)pyridin-1-ium-3-ol; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-4-methoxy-2-methyl-pyridin-1-ium-3-ol; trifluoromethanesulfonate CAS Name: 4-methoxy-2-methyl-1-(phenylmethyl)-3-pyridin-1-iumol; trifluoromethanesulfonate IUPAC Name: 1-benzyl-4-methoxy-2-methylpyridin-1-ium-3-ol; trifluoromethanesulfonate Traditional Name: 1-benzyl-4-methoxy-2-methyl-pyridin-1-ium-3-ol triflate Formula: C15H16F3NO5S MolecularWeight: 379.35145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CC(=C1O)OC)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CC(=C1O)OC)CC2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C14H15NO2.CHF3O3S/c1-11-14(16)13(17-2)8-9-15(11)10-12-6-4-3-5-7-12;2-1(3,4)8(5,6)7/h3-9H,10H2,1-2H3;(H,5,6,7)