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

Systemtic Name: N-[2-[1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoranyl-benzamide Openeye Name: N-[2-[1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide CAS Name: N-[2-[1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-fluorobenzamide IUPAC Name: N-[2-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluorobenzamide Traditional Name: N-[2-[1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-fluoro-benzamide Formula: C22H23ClFN4O2+ MolecularWeight: 429.895023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O2/c23-17-4-5-20(29)16(12-17)14-27-10-7-19(8-11-27)28-21(6-9-25-28)26-22(30)15-2-1-3-18(24)13-15/h1-6,9,12-13,19,29H,7-8,10-11,14H2,(H,26,30)/p+1