N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide

Systemtic Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C22H26FN4O2+ MolecularWeight: 397.465843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H25FN4O2/c1-2-19-6-7-20(29-19)15-26-12-9-18(10-13-26)27-21(8-11-24-27)25-22(28)16-4-3-5-17(23)14-16/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,25,28)/p+1