N-[2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

Systemtic Name: N-[2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Openeye Name: N-[2-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide CAS Name: N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]cyclopentanecarboxamide IUPAC Name: N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Traditional Name: N-[2-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]cyclopentanecarboxamide Formula: C21H27ClFN4O+ MolecularWeight: 405.916683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCC(C1)C(=O)NC2=CC=NN2C3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H26ClFN4O/c22-18-6-3-7-19(23)17(18)14-26-12-9-16(10-13-26)27-20(8-11-24-27)25-21(28)15-4-1-2-5-15/h3,6-8,11,15-16H,1-2,4-5,9-10,12-14H2,(H,25,28)/p+1