4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide

Systemtic Name: 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Openeye Name: 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide CAS Name: 4-[[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]oxy]-N-(2-pyridinylmethyl)benzamide IUPAC Name: 4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide Traditional Name: 4-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]oxy-N-(2-pyridylmethyl)benzamide Formula: C24H28N5O2S+ MolecularWeight: 450.57642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C24H27N5O2S/c1-32-24-27-14-18(15-28-24)17-29-12-9-22(10-13-29)31-21-7-5-19(6-8-21)23(30)26-16-20-4-2-3-11-25-20/h2-8,11,14-15,22H,9-10,12-13,16-17H2,1H3,(H,26,30)/p+1