1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium

Systemtic Name: 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Openeye Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium IUPAC Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-(2-methoxyethoxy)piperidin-1-ium Formula: C25H31FN3O3+ MolecularWeight: 440.530343

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

COCCOC1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C25H30FN3O3/c1-30-14-15-32-21-10-12-28(13-11-21)17-19-18-29(20-6-4-3-5-7-20)27-25(19)23-9-8-22(31-2)16-24(23)26/h3-9,16,18,21H,10-15,17H2,1-2H3/p+1