N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C20H25ClFN4OS+ MolecularWeight: 423.955103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)CCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C20H24ClFN4OS/c1-28-20-23-11-15(12-24-20)13-26-8-6-14(7-9-26)2-5-19(27)25-16-3-4-18(22)17(21)10-16/h3-4,10-12,14H,2,5-9,13H2,1H3,(H,25,27)/p+1