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

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(2,3-dimethyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(2,3-dimethylpyridin-1-ium-1-yl)ethanone Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C([N+](=CC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H24N3O3S/c1-16-7-6-10-21(17(16)2)15-19(23)20-11-13-22(14-12-20)26(24,25)18-8-4-3-5-9-18/h3-10H,11-15H2,1-2H3/q+1