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

Systemtic Name: 1-[[3-(2-fluoranyl-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(2-fluoro-4-methoxy-phenyl)-1-phenyl-pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

COC1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

Isomeric SMILES

COC1CC[NH+](CC1)CC2=CN(N=C2C3=C(C=C(C=C3)OC)F)C4=CC=CC=C4

InChI

InChI=1S/C23H26FN3O2/c1-28-19-10-12-26(13-11-19)15-17-16-27(18-6-4-3-5-7-18)25-23(17)21-9-8-20(29-2)14-22(21)24/h3-9,14,16,19H,10-13,15H2,1-2H3/p+1