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

Systemtic Name: N-[2-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C17H21ClFN4O+ MolecularWeight: 351.826243

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H20ClFN4O/c1-12(24)21-17-5-8-20-23(17)13-6-9-22(10-7-13)11-14-15(18)3-2-4-16(14)19/h2-5,8,13H,6-7,9-11H2,1H3,(H,21,24)/p+1