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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-ethanoylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-acetyl-1-pyridin-1-iumyl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-acetylpyridin-1-ium-1-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]ethanone Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O4S/c1-16-6-7-20(17(2)13-16)29(27,28)24-11-9-23(10-12-24)21(26)15-22-8-4-5-19(14-22)18(3)25/h4-8,13-14H,9-12,15H2,1-3H3/q+1