1-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone

Systemtic Name: 1-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazino]ethanone Formula: C16H25N4O3S+ MolecularWeight: 353.4597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C16H24N4O3S/c1-14(21)18-9-11-19(12-10-18)16-6-5-15(13-17-16)24(22,23)20-7-3-2-4-8-20/h5-6,13H,2-4,7-12H2,1H3/p+1