N-[4-(2-fluoranylphenoxy)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(2-fluoranylphenoxy)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(2-fluorophenoxy)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(2-fluorophenoxy)phenyl]-1-[3-(1-pyrazolyl)propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(2-fluorophenoxy)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(2-fluorophenoxy)phenyl]-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-4-carboxamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)CCCN4C=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3F)CCCN4C=CC=N4

InChI

InChI=1S/C24H27FN4O2/c25-22-5-1-2-6-23(22)31-21-9-7-20(8-10-21)27-24(30)19-11-17-28(18-12-19)14-4-16-29-15-3-13-26-29/h1-3,5-10,13,15,19H,4,11-12,14,16-18H2,(H,27,30)/p+1