ethyl 1-ethyl-3-[2-(4-fluoranylphenoxy)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate

Systemtic Name: ethyl 1-ethyl-3-[2-(4-fluoranylphenoxy)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[2-(4-fluorophenoxy)ethyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[2-(4-fluorophenoxy)ethyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[2-(4-fluorophenoxy)ethyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-[2-(4-fluorophenoxy)ethyl]-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)CCOC3=CC=C(C=C3)F)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C(=O)OCC)CCOC3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H24FN2O3/c1-4-23-15(3)24(12-13-27-18-9-7-17(22)8-10-18)20-14-16(6-11-19(20)23)21(25)26-5-2/h6-11,14H,4-5,12-13H2,1-3H3/q+1