4-[[3-(2-phenoxyethanoylamino)pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride

Systemtic Name: 4-[[3-(2-phenoxyethanoylamino)pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Openeye Name: 4-[[3-[(2-phenoxyacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride CAS Name: 4-[[3-[(1-oxo-2-phenoxyethyl)amino]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[3-[(2-phenoxyacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Traditional Name: 4-[[3-[(2-phenoxyacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Formula: C20H18FN2O4S+ MolecularWeight: 401.431323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)NC2=C[N+](=CC=C2)CC3=CC=C(C=C3)S(=O)(=O)F

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)NC2=C[N+](=CC=C2)CC3=CC=C(C=C3)S(=O)(=O)F

InChI

InChI=1S/C20H17FN2O4S/c21-28(25,26)19-10-8-16(9-11-19)13-23-12-4-5-17(14-23)22-20(24)15-27-18-6-2-1-3-7-18/h1-12,14H,13,15H2/p+1