1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-o-phenetyl-piperazin-1-ium Formula: C22H26FN4O+ MolecularWeight: 381.466443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O/c1-2-28-21-6-4-3-5-20(21)27-13-11-26(12-14-27)16-18-15-24-25-22(18)17-7-9-19(23)10-8-17/h3-10,15H,2,11-14,16H2,1H3,(H,24,25)/p+1