1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(4-propyl-1-pyridin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-propylpyridin-1-ium-1-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(4-propylpyridin-1-ium-1-yl)ethanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N3O3S/c1-2-6-18-9-11-21(12-10-18)17-20(24)22-13-15-23(16-14-22)27(25,26)19-7-4-3-5-8-19/h3-5,7-12H,2,6,13-17H2,1H3/q+1