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

Systemtic Name: N-[2-[1-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(2-fluoro-4-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(2-fluoro-4-methoxy-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide Formula: C24H28FN4O2+ MolecularWeight: 423.503123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H27FN4O2/c1-31-21-8-7-19(22(25)16-21)17-28-13-10-20(11-14-28)29-23(9-12-26-29)27-24(30)15-18-5-3-2-4-6-18/h2-9,12,16,20H,10-11,13-15,17H2,1H3,(H,27,30)/p+1