1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(2,1,3-benzoxadiazol-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(benzofurazan-4-ylmethyl)-N-[3-(3-fluorophenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C25H24FN4O2+ MolecularWeight: 431.482063

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=NON=C54

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=NON=C54

InChI

InChI=1S/C25H23FN4O2/c26-21-7-1-4-18(14-21)19-5-2-8-22(15-19)27-25(31)17-10-12-30(13-11-17)16-20-6-3-9-23-24(20)29-32-28-23/h1-9,14-15,17H,10-13,16H2,(H,27,31)/p+1