2-(3-ethanoylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-ethanoylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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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(=C3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[N+]3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H24N3O4S/c1-16-5-7-19(8-6-16)28(26,27)23-12-10-22(11-13-23)20(25)15-21-9-3-4-18(14-21)17(2)24/h3-9,14H,10-13,15H2,1-2H3/q+1