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

Systemtic Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isobutyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(2-methylpropyl)-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(2-methylpropyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isobutyl-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C16H29N4OS+ MolecularWeight: 325.49266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1CCO)CC2=CN=C(N=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4OS/c1-13(2)10-20-6-5-19(12-15(20)4-7-21)11-14-8-17-16(22-3)18-9-14/h8-9,13,15,21H,4-7,10-12H2,1-3H3/p+1/t15-/m0/s1