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

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]-2-(trifluoromethyl)benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(trifluoromethyl)benzamide Formula: C25H25F3N3O+ MolecularWeight: 440.48071

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C25H24F3N3O/c26-25(27,28)23-9-5-4-8-22(23)24(32)29-20-10-12-21(13-11-20)31-16-14-30(15-17-31)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,29,32)/p+1