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

Systemtic Name: 2-[(2S)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(3-thienylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[[2-(methylthio)-5-pyrimidinyl]methyl]-1-(3-thiophenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(2-methylsulfanylpyrimidin-5-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-[[2-(methylthio)pyrimidin-5-yl]methyl]-1-(3-thenyl)piperazin-4-ium-2-yl]ethanol Formula: C17H25N4OS2+ MolecularWeight: 365.5366

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCN(C(C2)CCO)CC3=CSC=C3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCN([C@H](C2)CCO)CC3=CSC=C3

InChI

InChI=1S/C17H24N4OS2/c1-23-17-18-8-15(9-19-17)10-20-4-5-21(16(12-20)2-6-22)11-14-3-7-24-13-14/h3,7-9,13,16,22H,2,4-6,10-12H2,1H3/p+1/t16-/m0/s1