1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxy-piperidin-1-ium

Systemtic Name: 1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxy-piperidin-1-ium Openeye Name: 4-benzyloxy-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxypiperidin-1-ium IUPAC Name: 1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-phenylmethoxypiperidin-1-ium Traditional Name: 4-benzoxy-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C23H27FN3O2+ MolecularWeight: 396.477783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC(CC3)OCC4=CC=CC=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-28-20-7-8-21(22(24)13-20)23-18(14-25-26-23)15-27-11-9-19(10-12-27)29-16-17-5-3-2-4-6-17/h2-8,13-14,19H,9-12,15-16H2,1H3,(H,25,26)/p+1