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

Systemtic Name: ethyl 1-ethyl-3-[(3-fluorophenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate Openeye Name: ethyl 1-ethyl-3-[(3-fluorophenyl)methyl]-2-methyl-benzimidazol-1-ium-5-carboxylate CAS Name: 1-ethyl-3-[(3-fluorophenyl)methyl]-2-methyl-5-benzimidazol-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-3-[(3-fluorophenyl)methyl]-2-methylbenzimidazol-1-ium-5-carboxylate Traditional Name: 1-ethyl-3-(3-fluorobenzyl)-2-methyl-benzimidazol-1-ium-5-carboxylic acid ethyl ester Formula: C20H22FN2O2+ MolecularWeight: 341.399283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN2O2/c1-4-22-14(3)23(13-15-7-6-8-17(21)11-15)19-12-16(9-10-18(19)22)20(24)25-5-2/h6-12H,4-5,13H2,1-3H3/q+1