[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C23H23FN5O+ MolecularWeight: 404.460023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC=NC=C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CC1=NC=NC=C1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H22FN5O/c1-28(15-18-10-11-25-16-26-18)13-17-14-29(19-6-4-3-5-7-19)27-23(17)21-9-8-20(30-2)12-22(21)24/h3-12,14,16H,13,15H2,1-2H3/p+1