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

Systemtic Name: 2-[(2S)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-propan-2-yl-piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopropyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-propan-2-yl-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-propan-2-ylpiperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isopropyl-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C15H27N4OS+ MolecularWeight: 311.46608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4OS/c1-12(2)19-6-5-18(11-14(19)4-7-20)10-13-8-16-15(21-3)17-9-13/h8-9,12,14,20H,4-7,10-11H2,1-3H3/p+1/t14-/m0/s1