2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]ethanone CAS Name: 2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]ethanone Formula: C24H38N5O4S+ MolecularWeight: 492.65462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C24H37N5O4S/c30-23(27-9-5-2-6-10-27)19-25-11-13-26(14-12-25)20-24(31)28-15-17-29(18-16-28)34(32,33)21-22-7-3-1-4-8-22/h1,3-4,7-8H,2,5-6,9-21H2/p+1