2-fluoranyl-3-(2-methoxyethoxymethoxymethyl)-1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate

Systemtic Name: 2-fluoranyl-3-(2-methoxyethoxymethoxymethyl)-1-(phenylmethyl)pyridin-1-ium; tris(fluoranyl)methanesulfonate Openeye Name: 1-benzyl-2-fluoro-3-(2-methoxyethoxymethoxymethyl)pyridin-1-ium; trifluoromethanesulfonate CAS Name: 2-fluoro-3-(2-methoxyethoxymethoxymethyl)-1-(phenylmethyl)pyridin-1-ium; trifluoromethanesulfonate IUPAC Name: 1-benzyl-2-fluoro-3-(2-methoxyethoxymethoxymethyl)pyridin-1-ium; trifluoromethanesulfonate Traditional Name: 1-benzyl-2-fluoro-3-(2-methoxyethoxymethoxymethyl)pyridin-1-ium triflate Formula: C18H21F4NO6S MolecularWeight: 455.421053

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCOCC1=C([N+](=CC=C1)CC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

COCCOCOCC1=C([N+](=CC=C1)CC2=CC=CC=C2)F.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C17H21FNO3.CHF3O3S/c1-20-10-11-21-14-22-13-16-8-5-9-19(17(16)18)12-15-6-3-2-4-7-15;2-1(3,4)8(5,6)7/h2-9H,10-14H2,1H3;(H,5,6,7)/q+1;/p-1