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

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(4-besylpiperazino)ethanone Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C[N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=C[N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N3O4S/c1-16(23)17-6-5-9-20(14-17)15-19(24)21-10-12-22(13-11-21)27(25,26)18-7-3-2-4-8-18/h2-9,14H,10-13,15H2,1H3/q+1