[4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[1-phenyl-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C22H22F3N4O+ MolecularWeight: 415.43149

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O/c23-22(24,25)20-19(15-26-29(20)18-9-5-2-6-10-18)21(30)28-13-11-27(12-14-28)16-17-7-3-1-4-8-17/h1-10,15H,11-14,16H2/p+1