N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine

Systemtic Name: N-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1-[2-(trifluoromethyl)phenyl]methanimine Openeye Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine CAS Name: N-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-[2-(trifluoromethyl)phenyl]methanimine IUPAC Name: N-(4-benzylpiperazin-4-ium-1-yl)-1-[2-(trifluoromethyl)phenyl]methanimine Traditional Name: (E)-(4-benzylpiperazin-4-ium-1-yl)-[2-(trifluoromethyl)benzylidene]amine Formula: C19H21F3N3+ MolecularWeight: 348.38535

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)N=CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)/N=C/C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3/c20-19(21,22)18-9-5-4-8-17(18)14-23-25-12-10-24(11-13-25)15-16-6-2-1-3-7-16/h1-9,14H,10-13,15H2/p+1/b23-14+