2-(3-oxidanylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-oxidanylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-hydroxy-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3-hydroxypyridin-1-ium-1-yl)ethanone Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C[N+]2=CC=CC(=C2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O4S/c21-15-5-4-8-18(13-15)14-17(22)19-9-11-20(12-10-19)25(23,24)16-6-2-1-3-7-16/h1-8,13H,9-12,14H2/p+1