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

Systemtic Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-cyclohexyl-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-cyclohexyl-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-cyclohexyl-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCN(C(C2)CCO)C3CCCCC3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)C3CCCCC3

InChI

InChI=1S/C18H30N4OS/c1-24-18-19-11-15(12-20-18)13-21-8-9-22(17(14-21)7-10-23)16-5-3-2-4-6-16/h11-12,16-17,23H,2-10,13-14H2,1H3/p+1/t17-/m0/s1