[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium

Systemtic Name: [5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]azanium Openeye Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium CAS Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-(1-imidazolyl)-1-phenylethyl]ammonium IUPAC Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenylethyl]azanium Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[(1S)-2-imidazol-1-yl-1-phenyl-ethyl]ammonium Formula: C22H23FN5O+ MolecularWeight: 392.449323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+]C(CN3C=CN=C3)C4=CC=CC=C4)F

Isomeric SMILES

COC1=CC(=C(C=C1)C2=C(C=NN2)C[NH2+][C@H](CN3C=CN=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN5O/c1-29-18-7-8-19(20(23)11-18)22-17(13-26-27-22)12-25-21(14-28-10-9-24-15-28)16-5-3-2-4-6-16/h2-11,13,15,21,25H,12,14H2,1H3,(H,26,27)/p+1/t21-/m1/s1