1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 2-(4-propylpyridin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 2-(4-propylpyridin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC=[N+](C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N3O3S/c1-3-4-19-9-11-22(12-10-19)17-21(25)23-13-15-24(16-14-23)28(26,27)20-7-5-18(2)6-8-20/h5-12H,3-4,13-17H2,1-2H3/q+1