4-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-(m-tolylmethyl)piperazin-4-ium-2-one CAS Name: 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[(3-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-1-(3-methylbenzyl)piperazin-4-ium-2-one Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2=O)CC3=C(NN=C3)C4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C23H25FN4O2/c1-16-4-3-5-17(10-16)13-28-9-8-27(15-22(28)29)14-19-12-25-26-23(19)18-6-7-21(30-2)20(24)11-18/h3-7,10-12H,8-9,13-15H2,1-2H3,(H,25,26)/p+1