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

Systemtic Name: 1-[4-(phenylsulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-(4-besylpiperazino)-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H23N3O3S/c20-16(14-17-8-4-5-9-17)18-10-12-19(13-11-18)23(21,22)15-6-2-1-3-7-15/h1-3,6-7H,4-5,8-14H2/p+1