4-fluoranyl-N-[[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3S)-1-[[3-(methylthio)phenyl]methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3S)-1-[(3-methylsulfanylphenyl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3S)-1-[3-(methylthio)benzyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C21H26FN2OS+ MolecularWeight: 373.507343

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)C[NH+]2CCC[C@H](C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN2OS/c1-26-20-6-2-4-16(12-20)14-24-11-3-5-17(15-24)13-23-21(25)18-7-9-19(22)10-8-18/h2,4,6-10,12,17H,3,5,11,13-15H2,1H3,(H,23,25)/p+1/t17-/m0/s1