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

Systemtic Name: ethyl 1-ethyl-3-[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(2-fluoro-4-methyl-anilino)-2-keto-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C22H25FN3O3+ MolecularWeight: 398.450603

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=C(C=C(C=C3)C)F)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC(=O)NC3=C(C=C(C=C3)C)F)C

InChI

InChI=1S/C22H24FN3O3/c1-5-25-15(4)26(13-21(27)24-18-9-7-14(3)11-17(18)23)20-12-16(8-10-19(20)25)22(28)29-6-2/h7-12H,5-6,13H2,1-4H3/p+1