2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(6-methylpyridin-2-yl)methyl]-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-[(6-methyl-2-pyridyl)methyl]-4-[[2-(methylthio)pyrimidin-5-yl]methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H28N5OS+ MolecularWeight: 374.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CC[NH+](CC2CCO)CC3=CN=C(N=C3)SC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H27N5OS/c1-15-4-3-5-17(22-15)13-24-8-7-23(14-18(24)6-9-25)12-16-10-20-19(26-2)21-11-16/h3-5,10-11,18,25H,6-9,12-14H2,1-2H3/p+1/t18-/m0/s1