2,2,2-tris(fluoranyl)ethyl 1,3-diethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-5-carboxylate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 1,3-diethyl-2-(2-phenylazanylethenyl)benzimidazol-1-ium-5-carboxylate Openeye Name: 2,2,2-trifluoroethyl 2-(2-anilinovinyl)-1,3-diethyl-benzimidazol-1-ium-5-carboxylate CAS Name: 2-(2-anilinoethenyl)-1,3-diethyl-5-benzimidazol-1-iumcarboxylic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 2-(2-anilinoethenyl)-1,3-diethylbenzimidazol-1-ium-5-carboxylate Traditional Name: 2-(2-anilinovinyl)-1,3-diethyl-benzimidazol-1-ium-5-carboxylic acid 2,2,2-trifluoroethyl ester Formula: C22H23F3N3O2+ MolecularWeight: 418.43213

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)OCC(F)(F)F)[N+](=C1C=CNC3=CC=CC=C3)CC

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)OCC(F)(F)F)[N+](=C1C=CNC3=CC=CC=C3)CC

InChI

InChI=1S/C22H22F3N3O2/c1-3-27-18-11-10-16(21(29)30-15-22(23,24)25)14-19(18)28(4-2)20(27)12-13-26-17-8-6-5-7-9-17/h5-14H,3-4,15H2,1-2H3/p+1