N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=CO3

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C17H22N4O2S/c1-24-17-19-9-14(10-20-17)12-21-6-2-4-13(11-21)8-18-16(22)15-5-3-7-23-15/h3,5,7,9-10,13H,2,4,6,8,11-12H2,1H3,(H,18,22)/p+1/t13-/m1/s1