2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C13H21N4OS+ MolecularWeight: 281.39704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)C)C

InChI

InChI=1S/C13H20N4OS/c1-10-8-11(2)15-13(14-10)19-9-12(18)17-6-4-16(3)5-7-17/h8H,4-7,9H2,1-3H3/p+1