4-fluoranyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 4-fluoranyl-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 4-fluoro-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 4-fluoro-N-[[(3S)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-fluoro-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 4-fluoro-N-[[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]benzamide Formula: C22H24FN2O+ MolecularWeight: 351.437163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H23FN2O/c23-21-12-10-20(11-13-21)22(26)24-16-19-9-5-15-25(17-19)14-4-8-18-6-2-1-3-7-18/h1-3,6-7,10-13,19H,5,9,14-17H2,(H,24,26)/p+1/t19-/m0/s1