3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[1-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C25H26F3N5O2+2 MolecularWeight: 485.50145

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=[NH+]4

InChI

InChI=1S/C25H24F3N5O2/c26-25(27,28)19-6-4-8-21(16-19)31-24(35)18-5-3-7-20(15-18)30-23(34)17-32-11-13-33(14-12-32)22-9-1-2-10-29-22/h1-10,15-16H,11-14,17H2,(H,30,34)(H,31,35)/p+2