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

Systemtic Name: ethyl 1-ethyl-3-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(3-fluoro-4-methoxy-phenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(3-fluoro-4-methoxyphenyl)methyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(3-fluoro-4-methoxy-benzyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C21H24FN2O3+ MolecularWeight: 371.425263

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3)OC)F)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CC3=CC(=C(C=C3)OC)F)C

InChI

InChI=1S/C21H24FN2O3/c1-5-23-14(3)24(13-15-7-10-20(26-4)17(22)11-15)19-12-16(8-9-18(19)23)21(25)27-6-2/h7-12H,5-6,13H2,1-4H3/q+1