2-[(2S)-1-(3-methylbutyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-isopentyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-(3-methylbutyl)-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-(3-methylbutyl)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-isoamyl-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-1-ium-2-yl]ethanol Formula: C17H31N4OS+ MolecularWeight: 339.51924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4OS/c1-14(2)4-6-21-8-7-20(13-16(21)5-9-22)12-15-10-18-17(23-3)19-11-15/h10-11,14,16,22H,4-9,12-13H2,1-3H3/p+1/t16-/m0/s1