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

Systemtic Name: N-(2-fluorophenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(2-fluorophenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(2-fluorophenyl)-3-[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(2-fluorophenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-fluorophenyl)-3-[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]propionamide Formula: C20H26FN4OS+ MolecularWeight: 389.510043

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)CCC(=O)NC3=CC=CC=C3F

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)CCC(=O)NC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN4OS/c1-27-20-22-11-16(12-23-20)14-25-10-4-5-15(13-25)8-9-19(26)24-18-7-3-2-6-17(18)21/h2-3,6-7,11-12,15H,4-5,8-10,13-14H2,1H3,(H,24,26)/p+1/t15-/m1/s1