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

Systemtic Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,3-dimethylpyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H26N3O3S/c1-16-6-8-19(9-7-16)27(25,26)23-13-11-21(12-14-23)20(24)15-22-10-4-5-17(2)18(22)3/h4-10H,11-15H2,1-3H3/q+1