1-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-(2-pyridinylthio)ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridylthio)ethanone Formula: C12H18N3OS+ MolecularWeight: 252.35582

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=N2

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC=N2

InChI

InChI=1S/C12H17N3OS/c1-14-6-8-15(9-7-14)12(16)10-17-11-4-2-3-5-13-11/h2-5H,6-10H2,1H3/p+1