N-phenyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-phenyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: N-phenyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzamide CAS Name: N-phenyl-4-[[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: N-phenyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzamide Traditional Name: N-phenyl-4-[[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]benzamide Formula: C24H25F3N4O+2 MolecularWeight: 442.47671

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H23F3N4O/c25-24(26,27)20-10-11-22(28-16-20)31-14-12-30(13-15-31)17-18-6-8-19(9-7-18)23(32)29-21-4-2-1-3-5-21/h1-11,16H,12-15,17H2,(H,29,32)/p+2