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

Systemtic Name: (5-ethylpyridin-2-yl)methyl-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]azanium Openeye Name: (5-ethyl-2-pyridyl)methyl-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium CAS Name: (5-ethyl-2-pyridinyl)methyl-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]ammonium IUPAC Name: (5-ethylpyridin-2-yl)methyl-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]azanium Traditional Name: (5-ethyl-2-pyridyl)methyl-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]ammonium Formula: C25H26FN4O+ MolecularWeight: 417.498543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C[NH2+]CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

CCC1=CN=C(C=C1)C[NH2+]CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN4O/c1-3-18-9-10-20(28-14-18)16-27-15-19-17-30(21-7-5-4-6-8-21)29-25(19)23-12-11-22(31-2)13-24(23)26/h4-14,17,27H,3,15-16H2,1-2H3/p+1