ethyl 3-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[2-(3,4-difluorophenyl)-2-oxo-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-difluorophenyl)-2-oxoethyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-[2-(3,4-difluorophenyl)-2-keto-ethyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H21F2N2O3+ MolecularWeight: 387.399846

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC(=C(C=C3)F)F)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)C3=CC(=C(C=C3)F)F)C

InChI

InChI=1S/C21H21F2N2O3/c1-4-24-13(3)25(12-20(26)14-6-8-16(22)17(23)10-14)19-11-15(7-9-18(19)24)21(27)28-5-2/h6-11H,4-5,12H2,1-3H3/q+1