N'-(3-fluorophenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide

Systemtic Name: N'-(3-fluorophenyl)-N-[[1-(phenylmethyl)piperidin-1-ium-4-yl]methyl]ethanediamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluorophenyl)oxamide CAS Name: N'-(3-fluorophenyl)-N-[[1-(phenylmethyl)-4-piperidin-1-iumyl]methyl]oxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluorophenyl)oxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-yl)methyl]-N'-(3-fluorophenyl)oxamide Formula: C21H25FN3O2+ MolecularWeight: 370.440503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC(=CC=C2)F)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1CNC(=O)C(=O)NC2=CC(=CC=C2)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H24FN3O2/c22-18-7-4-8-19(13-18)24-21(27)20(26)23-14-16-9-11-25(12-10-16)15-17-5-2-1-3-6-17/h1-8,13,16H,9-12,14-15H2,(H,23,26)(H,24,27)/p+1