N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl-pyridin-1-ium-2-yl-amine Formula: C14H14F3N4O2+ MolecularWeight: 327.28177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H13F3N4O2/c15-14(16,17)10-4-5-11(12(9-10)21(22)23)18-7-8-20-13-3-1-2-6-19-13/h1-6,9,18H,7-8H2,(H,19,20)/p+1