ethyl 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-oxidanyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-oxidanyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-hydroxy-piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-hydroxy-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-hydroxypiperidin-1-ium-4-carboxylate Traditional Name: 1-[2-(4-fluorophenyl)-1H-imidazol-5-yl]-1-hydroxy-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[N+](CC1)(C2=CN=C(N2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC(=O)C1CC[N+](CC1)(C2=CN=C(N2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C17H21FN3O3/c1-2-24-17(22)13-7-9-21(23,10-8-13)15-11-19-16(20-15)12-3-5-14(18)6-4-12/h3-6,11,13,23H,2,7-10H2,1H3,(H,19,20)/q+1