5-nitro-N-[[4-(trifluoromethyloxy)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: 5-nitro-N-[[4-(trifluoromethyloxy)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 5-nitro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 5-nitro-N-[[4-(trifluoromethoxy)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 5-nitro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (5-nitropyridin-1-ium-2-yl)-[4-(trifluoromethoxy)benzyl]amine Formula: C13H11F3N3O3+ MolecularWeight: 314.23995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=[NH+]C=C(C=C2)[N+](=O)[O-])OC(F)(F)F

InChI

InChI=1S/C13H10F3N3O3/c14-13(15,16)22-11-4-1-9(2-5-11)7-17-12-6-3-10(8-18-12)19(20)21/h1-6,8H,7H2,(H,17,18)/p+1