2-[(2S)-1-methyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-methyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-methyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-methyl-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-methyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-methyl-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C13H23N4OS+ MolecularWeight: 283.41292

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1CCO)CC2=CN=C(N=C2)SC

Isomeric SMILES

CN1CC[NH+](C[C@@H]1CCO)CC2=CN=C(N=C2)SC

InChI

InChI=1S/C13H22N4OS/c1-16-4-5-17(10-12(16)3-6-18)9-11-7-14-13(19-2)15-8-11/h7-8,12,18H,3-6,9-10H2,1-2H3/p+1/t12-/m0/s1