(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Openeye Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol CAS Name: (3R,4R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-(4-morpholin-4-iumyl)-3-piperidin-1-iumol IUPAC Name: (3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-morpholin-4-ium-4-ylpiperidin-1-ium-3-ol Traditional Name: (3R,4R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]-4-morpholin-4-ium-4-yl-piperidin-1-ium-3-ol Formula: C15H26N4O2S+2 MolecularWeight: 326.45754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(C(C2)O)[NH+]3CCOCC3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CC[C@H]([C@@H](C2)O)[NH+]3CCOCC3

InChI

InChI=1S/C15H24N4O2S/c1-22-15-16-8-12(9-17-15)10-18-3-2-13(14(20)11-18)19-4-6-21-7-5-19/h8-9,13-14,20H,2-7,10-11H2,1H3/p+2/t13-,14-/m1/s1