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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(2-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(2-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(2-methylpyridin-1-ium-1-yl)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/c1-16-7-8-19(17(2)14-16)27(25,26)23-12-10-21(11-13-23)20(24)15-22-9-5-4-6-18(22)3/h4-9,14H,10-13,15H2,1-3H3/q+1