1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(2-methylpyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=CC=C3C

InChI

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