1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-[4-(m-tolyl)piperazin-1-yl]ethanone CAS Name: 1-[4-(3-methylphenyl)-1-piperazinyl]-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(3-methylphenyl)piperazin-1-yl]-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-1-[4-(m-tolyl)piperazino]ethanone Formula: C23H32N5O3S2+ MolecularWeight: 490.66188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H31N5O3S2/c1-19-4-3-5-20(16-19)26-10-12-27(13-11-26)23(29)18-32-22-7-6-21(17-24-22)33(30,31)28-14-8-25(2)9-15-28/h3-7,16-17H,8-15,18H2,1-2H3/p+1