ethyl 5-(2-fluorophenyl)-3-(1-oxidanylpiperidin-1-ium-1-yl)-4H-imidazole-5-carboxylate

Systemtic Name: ethyl 5-(2-fluorophenyl)-3-(1-oxidanylpiperidin-1-ium-1-yl)-4H-imidazole-5-carboxylate Openeye Name: ethyl 5-(2-fluorophenyl)-3-(1-hydroxypiperidin-1-ium-1-yl)-4H-imidazole-5-carboxylate CAS Name: 5-(2-fluorophenyl)-3-(1-hydroxy-1-piperidin-1-iumyl)-4H-imidazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-fluorophenyl)-3-(1-hydroxypiperidin-1-ium-1-yl)-4H-imidazole-5-carboxylate Traditional Name: 4-(2-fluorophenyl)-1-(1-hydroxypiperidin-1-ium-1-yl)-2-imidazoline-4-carboxylic acid ethyl ester Formula: C17H23FN3O3+ MolecularWeight: 336.381223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(C=N1)[N+]2(CCCCC2)O)C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1(CN(C=N1)[N+]2(CCCCC2)O)C3=CC=CC=C3F

InChI

InChI=1S/C17H23FN3O3/c1-2-24-16(22)17(14-8-4-5-9-15(14)18)12-20(13-19-17)21(23)10-6-3-7-11-21/h4-5,8-9,13,23H,2-3,6-7,10-12H2,1H3/q+1