1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanone Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C[N+](=C(C=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C22H30N3O3S/c1-5-20-8-7-19(4)24(15-20)16-22(26)23-10-12-25(13-11-23)29(27,28)21-9-6-17(2)14-18(21)3/h6-9,14-15H,5,10-13,16H2,1-4H3/q+1