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

Systemtic Name: 2-(4-fluorophenyl)-4-phenyl-5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrazol-3-amine Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-amine CAS Name: 2-(4-fluorophenyl)-4-phenyl-5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-3-pyrazolamine IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenylpyrazol-3-amine Traditional Name: [5-[(4-benzylpiperazin-1-ium-1-yl)methyl]-2-(4-fluorophenyl)-4-phenyl-pyrazol-3-yl]amine Formula: C27H29FN5+ MolecularWeight: 442.551063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)F)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)F)CC5=CC=CC=C5

InChI

InChI=1S/C27H28FN5/c28-23-11-13-24(14-12-23)33-27(29)26(22-9-5-2-6-10-22)25(30-33)20-32-17-15-31(16-18-32)19-21-7-3-1-4-8-21/h1-14H,15-20,29H2/p+1