N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide

Systemtic Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C25H29N4OS+ MolecularWeight: 433.58896

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4OS/c1-31-25-27-15-20(16-28-25)18-29-13-5-6-19(17-29)14-26-24(30)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-12,15-16,19H,5-6,13-14,17-18H2,1H3,(H,26,30)/p+1/t19-/m1/s1