N-[2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Systemtic Name: N-[2-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Openeye Name: N-[2-[1-[(4-chloro-3-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide CAS Name: N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-pyridinecarboxamide IUPAC Name: N-[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide Traditional Name: N-[2-[1-(4-chloro-3-fluoro-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]nicotinamide Formula: C21H22ClFN5O+ MolecularWeight: 414.883683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC(=C(C=C4)Cl)F

Isomeric SMILES

C1C[NH+](CCC1N2C(=CC=N2)NC(=O)C3=CN=CC=C3)CC4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C21H21ClFN5O/c22-18-4-3-15(12-19(18)23)14-27-10-6-17(7-11-27)28-20(5-9-25-28)26-21(29)16-2-1-8-24-13-16/h1-5,8-9,12-13,17H,6-7,10-11,14H2,(H,26,29)/p+1