1-methyl-5-(phenylsulfonylmethyl)-2,3-dihydropyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-methyl-5-(phenylsulfonylmethyl)-2,3-dihydropyridin-1-ium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate CAS Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate IUPAC Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate Traditional Name: 5-(besylmethyl)-1-methyl-2,3-dihydropyridin-1-ium; 2,2,2-trifluoroacetate Formula: C15H16F3NO4S MolecularWeight: 363.35205

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=CCC1)CS(=O)(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C[N+]1=CC(=CCC1)CS(=O)(=O)C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C13H16NO2S.C2HF3O2/c1-14-9-5-6-12(10-14)11-17(15,16)13-7-3-2-4-8-13;3-2(4,5)1(6)7/h2-4,6-8,10H,5,9,11H2,1H3;(H,6,7)/q+1;/p-1