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

Systemtic Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[3-(3-fluorophenyl)phenyl]-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[3-(3-fluorophenyl)phenyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[3-(3-fluorophenyl)phenyl]-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C24H26FN4OS+ MolecularWeight: 437.552843

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC(=C3)C4=CC(=CC=C4)F

InChI

InChI=1S/C24H25FN4OS/c1-31-24-26-14-17(15-27-24)16-29-10-8-18(9-11-29)23(30)28-22-7-3-5-20(13-22)19-4-2-6-21(25)12-19/h2-7,12-15,18H,8-11,16H2,1H3,(H,28,30)/p+1