1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-[4-(1-piperidylsulfonyl)phenoxy]ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-[4-(1-piperidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-piperidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(4-piperidinosulfonylphenoxy)ethanone Formula: C24H32N3O4S+ MolecularWeight: 458.59358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4S/c28-24(26-17-15-25(16-18-26)19-21-7-3-1-4-8-21)20-31-22-9-11-23(12-10-22)32(29,30)27-13-5-2-6-14-27/h1,3-4,7-12H,2,5-6,13-20H2/p+1