2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-[4-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]-1-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H27N4O2S+ MolecularWeight: 351.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)CC3CCCO3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CC[NH+](CC2)C[C@@H]3CCCO3)C

InChI

InChI=1S/C17H26N4O2S/c1-13-10-14(2)19-17(18-13)24-12-16(22)21-7-5-20(6-8-21)11-15-4-3-9-23-15/h10,15H,3-9,11-12H2,1-2H3/p+1/t15-/m0/s1