2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide

Systemtic Name: 2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide Openeye Name: 2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide CAS Name: 2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide IUPAC Name: 2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide Traditional Name: 2-[[1-methyl-1-[3-(trifluoromethyl)phenyl]-2H-pyridin-1-ium-4-yl]methylamino]benzamide Formula: C21H21F3N3O+ MolecularWeight: 388.40615

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC=C(C=C1)CNC2=CC=CC=C2C(=O)N)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[N+]1(CC=C(C=C1)CNC2=CC=CC=C2C(=O)N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O/c1-27(17-6-4-5-16(13-17)21(22,23)24)11-9-15(10-12-27)14-26-19-8-3-2-7-18(19)20(25)28/h2-11,13H,12,14H2,1H3,(H2-,25,26,28)/p+1