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

Systemtic Name: [5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(4-propan-2-yloxyphenyl)ethyl]azanium Openeye Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(4-isopropoxyphenyl)ethyl]ammonium CAS Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-propan-2-yloxyphenyl)ethyl]ammonium IUPAC Name: [5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl-[2-(4-propan-2-yloxyphenyl)ethyl]azanium Traditional Name: [5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl-[2-(4-isopropoxyphenyl)ethyl]ammonium Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CC[NH2+]CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CC[NH2+]CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C22H26FN3O2/c1-15(2)28-18-6-4-16(5-7-18)10-11-24-13-17-14-25-26-22(17)20-9-8-19(27-3)12-21(20)23/h4-9,12,14-15,24H,10-11,13H2,1-3H3,(H,25,26)/p+1