ethyl 1-ethyl-3-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[(2R)-1-[(4-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(1R)-2-(4-fluoroanilino)-1-methyl-2-oxo-ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[(1R)-2-(4-fluoroanilino)-2-keto-1-methyl-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)C(C)C(=O)NC3=CC=C(C=C3)F)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24FN3O3/c1-5-25-15(4)26(14(3)21(27)24-18-10-8-17(23)9-11-18)20-13-16(7-12-19(20)25)22(28)29-6-2/h7-14H,5-6H2,1-4H3/p+1/t14-/m1/s1