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

Systemtic Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-(4-methyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-methylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-(4-methylpyridin-1-ium-1-yl)ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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