3-(4-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(4-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(4-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(4-fluorophenyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(4-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(4-fluorophenyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C22H28FN2O+ MolecularWeight: 355.468923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O/c23-21-11-8-18(9-12-21)10-13-22(26)24-16-19-6-2-3-7-20(19)17-25-14-4-1-5-15-25/h2-3,6-9,11-12H,1,4-5,10,13-17H2,(H,24,26)/p+1