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

Systemtic Name: N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]ethanamide Openeye Name: N-[2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide CAS Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]acetamide IUPAC Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Traditional Name: N-[2-[1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]acetamide Formula: C18H24FN4O2+ MolecularWeight: 347.407163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC(=O)NC1=CC=NN1C2CC[NH+](CC2)CC3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C18H23FN4O2/c1-13(24)21-18-5-8-20-23(18)15-6-9-22(10-7-15)12-14-3-4-16(25-2)11-17(14)19/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3,(H,21,24)/p+1