1-methyl-5-(phenylsulfonylmethyl)-2,3-dihydropyridin-1-ium

Systemtic Name: 1-methyl-5-(phenylsulfonylmethyl)-2,3-dihydropyridin-1-ium Openeye Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium CAS Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium IUPAC Name: 5-(benzenesulfonylmethyl)-1-methyl-2,3-dihydropyridin-1-ium Traditional Name: 5-(besylmethyl)-1-methyl-2,3-dihydropyridin-1-ium Formula: C13H16NO2S+ MolecularWeight: 250.33664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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