1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]ethanone Formula: C24H34N5O3S+ MolecularWeight: 472.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H33N5O3S/c1-20-6-7-21(2)23(17-20)33(31,32)29-15-13-28(14-16-29)24(30)19-27-11-9-26(10-12-27)18-22-5-3-4-8-25-22/h3-8,17H,9-16,18-19H2,1-2H3/p+1