N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(3-fluorobenzyl)piperidin-1-ium-4-carboxamide Formula: C26H25FN3O2+ MolecularWeight: 430.494003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC(=CC=C5)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)CC5=CC(=CC=C5)F

InChI

InChI=1S/C26H24FN3O2/c27-21-5-3-4-18(16-21)17-30-14-12-19(13-15-30)25(31)28-22-10-8-20(9-11-22)26-29-23-6-1-2-7-24(23)32-26/h1-11,16,19H,12-15,17H2,(H,28,31)/p+1