3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[3-(trifluoromethyl)benzyl]amine Formula: C13H11F3N3O2+ MolecularWeight: 298.24055

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C13H10F3N3O2/c14-13(15,16)10-4-1-3-9(7-10)8-18-12-11(19(20)21)5-2-6-17-12/h1-7H,8H2,(H,17,18)/p+1