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

Systemtic Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C25H36N4O3S+2 MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C25H34N4O3S/c1-21-7-9-24(10-8-21)33(31,32)29-17-13-27(14-18-29)20-25(30)28-15-11-26(12-16-28)19-23-6-4-3-5-22(23)2/h3-10H,11-20H2,1-2H3/p+2