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

Systemtic Name: 4-[[3-(2-phenylethanoylamino)pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Openeye Name: 4-[[3-[(2-phenylacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride CAS Name: 4-[[3-[(1-oxo-2-phenylethyl)amino]-1-pyridin-1-iumyl]methyl]benzenesulfonyl fluoride IUPAC Name: 4-[[3-[(2-phenylacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Traditional Name: 4-[[3-[(2-phenylacetyl)amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride Formula: C20H18FN2O3S+ MolecularWeight: 385.431923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17FN2O3S/c21-27(25,26)19-10-8-17(9-11-19)14-23-12-4-7-18(15-23)22-20(24)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2/p+1