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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)C(F)(F)F

InChI

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