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

Systemtic Name: [3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Openeye Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium CAS Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl-methyl-[2-(4-oxanyl)ethyl]ammonium IUPAC Name: [3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-(oxan-4-yl)ethyl]azanium Traditional Name: [3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl-methyl-(2-tetrahydropyran-4-ylethyl)ammonium Formula: C25H31FN3O2+ MolecularWeight: 424.530943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1CCOCC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

C[NH+](CCC1CCOCC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O2/c1-28(13-10-19-11-14-31-15-12-19)17-20-18-29(21-6-4-3-5-7-21)27-25(20)23-9-8-22(30-2)16-24(23)26/h3-9,16,18-19H,10-15,17H2,1-2H3/p+1