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

Systemtic Name: N-[2-[1-[(4-fluoranyl-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-ethanamide Openeye Name: N-[2-[1-[(4-fluoro-3-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenyl-acetamide CAS Name: N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-2-phenylacetamide IUPAC Name: N-[2-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-2-phenylacetamide Traditional Name: N-[2-[1-(4-fluoro-3-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=C(C=CC(=C1)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CC4=CC=CC=C4)F

Isomeric SMILES

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

InChI

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