[1-(2-ethoxy-2-oxidanylidene-ethyl)-1H-benzimidazol-1-ium-2-yl]methylazanium; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: [1-(2-ethoxy-2-oxidanylidene-ethyl)-1H-benzimidazol-1-ium-2-yl]methylazanium; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: [1-(2-ethoxy-2-oxo-ethyl)-1H-benzimidazol-1-ium-2-yl]methylammonium; 2,2,2-trifluoroacetate CAS Name: [1-(2-ethoxy-2-oxoethyl)-1H-benzimidazol-1-ium-2-yl]methylammonium; 2,2,2-trifluoroacetate IUPAC Name: [1-(2-ethoxy-2-oxoethyl)-1H-benzimidazol-1-ium-2-yl]methylazanium; 2,2,2-trifluoroacetate Traditional Name: [1-(2-ethoxy-2-keto-ethyl)-1H-benzimidazol-1-ium-2-yl]methylammonium; 2,2,2-trifluoroacetate Formula: C16H17F6N3O6 MolecularWeight: 461.313099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1C2=CC=CC=C2N=C1C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CCOC(=O)C[NH+]1C2=CC=CC=C2N=C1C[NH3+].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C12H15N3O2.2C2HF3O2/c1-2-17-12(16)8-15-10-6-4-3-5-9(10)14-11(15)7-13;2*3-2(4,5)1(6)7/h3-6H,2,7-8,13H2,1H3;2*(H,6,7)