1-[3-(phenylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[3-(phenylsulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[3-(benzenesulfonyl)-1-imidazolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[3-(benzenesulfonyl)imidazolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-(3-besylimidazolidin-1-yl)-2-piperidin-1-ium-1-yl-ethanone Formula: C16H24N3O3S+ MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCN(C2)S(=O)(=O)C3=CC=CC=C3

InChI

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