1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium

Systemtic Name: 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium Openeye Name: 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methoxy-piperidin-1-ium CAS Name: 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methoxypiperidin-1-ium IUPAC Name: 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methoxypiperidin-1-ium Traditional Name: 1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)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=CC(=CC=C3)F)C4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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