ethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-6-fluoro-phenyl)methyl]-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 3-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-6-fluorophenyl)methyl]-1-ethyl-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-benzyl)-1-ethyl-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C20H21ClFN2O2+ MolecularWeight: 375.844343

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C20H21ClFN2O2/c1-4-23-13(3)24(12-15-16(21)7-6-8-17(15)22)19-11-14(9-10-18(19)23)20(25)26-5-2/h6-11H,4-5,12H2,1-3H3/q+1