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

Systemtic Name: N-phenyl-2-[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-phenyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[1-oxo-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethyl]amino]-N-phenylbenzamide IUPAC Name: N-phenyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-phenyl-2-[[2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetyl]amino]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=C2C(=O)NC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

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