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

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(4-tosylpiperazino)ethanone Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3S/c1-21-7-9-23(10-8-21)32(30,31)28-17-15-27(16-18-28)24(29)20-26-13-11-25(12-14-26)19-22-5-3-2-4-6-22/h2-10H,11-20H2,1H3/p+1