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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

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