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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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