2-(3-chloranyl-4-methyl-phenyl)-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-pyrazol-3-amine Openeye Name: 2-(3-chloro-4-methyl-phenyl)-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-pyrazol-3-amine CAS Name: 2-(3-chloro-4-methylphenyl)-5-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-3-pyrazolamine IUPAC Name: 2-(3-chloro-4-methylphenyl)-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenylpyrazol-3-amine Traditional Name: [2-(3-chloro-4-methyl-phenyl)-5-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-pyrazol-3-yl]amine Formula: C27H28ClFN5+ MolecularWeight: 476.996123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F)C5=CC=CC=C5)N)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(C(=N2)C[NH+]3CCN(CC3)C4=CC=CC=C4F)C5=CC=CC=C5)N)Cl

InChI

InChI=1S/C27H27ClFN5/c1-19-11-12-21(17-22(19)28)34-27(30)26(20-7-3-2-4-8-20)24(31-34)18-32-13-15-33(16-14-32)25-10-6-5-9-23(25)29/h2-12,17H,13-16,18,30H2,1H3/p+1