1-[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine

Systemtic Name: 1-[5-(4-fluoranylphenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Openeye Name: 1-[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine CAS Name: 1-[5-(4-fluorophenoxy)-3-methyl-1-phenyl-4-pyrazolyl]-N-(4-methyl-1-piperazin-4-iumyl)methanimine IUPAC Name: 1-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-N-(4-methylpiperazin-4-ium-1-yl)methanimine Traditional Name: (Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenyl-pyrazol-4-yl]methylene-(4-methylpiperazin-4-ium-1-yl)amine Formula: C22H25FN5O+ MolecularWeight: 394.465203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2CC[NH+](CC2)C)OC3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N\N2CC[NH+](CC2)C)OC3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C22H24FN5O/c1-17-21(16-24-27-14-12-26(2)13-15-27)22(29-20-10-8-18(23)9-11-20)28(25-17)19-6-4-3-5-7-19/h3-11,16H,12-15H2,1-2H3/p+1/b24-16-