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

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(4-besylpiperazino)-2-piperidin-1-ium-1-yl-ethanone Formula: C17H26N3O3S+ MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O3S/c21-17(15-18-9-5-2-6-10-18)19-11-13-20(14-12-19)24(22,23)16-7-3-1-4-8-16/h1,3-4,7-8H,2,5-6,9-15H2/p+1