2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[[4-methyl-6-(4-methyl-1-piperazin-4-iumyl)-2-pyrimidinyl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[[4-methyl-6-(4-methylpiperazin-4-ium-1-yl)pyrimidin-2-yl]thio]-1-piperidino-ethanone Formula: C17H28N5OS+ MolecularWeight: 350.50212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCCCC2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCCCC2)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H27N5OS/c1-14-12-15(21-10-8-20(2)9-11-21)19-17(18-14)24-13-16(23)22-6-4-3-5-7-22/h12H,3-11,13H2,1-2H3/p+1