2-(4-oxidanylpiperidin-1-ium-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-oxidanylpiperidin-1-ium-1-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone CAS Name: 2-(4-hydroxy-1-piperidin-1-iumyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(4-hydroxypiperidin-1-ium-1-yl)ethanone Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1O)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1O)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O4S/c22-17-6-8-19(9-7-17)14-18(23)20-10-12-21(13-11-20)26(24,25)15-16-4-2-1-3-5-16/h1-5,17,22H,6-15H2/p+1