[(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone

Systemtic Name: [(3S)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-yl-methanone Openeye Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone CAS Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [(3S)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-pyridin-3-ylmethanone Traditional Name: [(3S)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-yl]-(3-pyridyl)methanone Formula: C22H24FN4O2+ MolecularWeight: 395.449963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)C(=O)C4=CN=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CN=CC=C4)F

InChI

InChI=1S/C22H23FN4O2/c1-29-18-6-7-19(20(23)10-18)21-17(12-25-26-21)14-27-9-3-5-16(13-27)22(28)15-4-2-8-24-11-15/h2,4,6-8,10-12,16H,3,5,9,13-14H2,1H3,(H,25,26)/p+1/t16-/m0/s1