ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-4-(3-fluorobenzyl)isonipecotic acid ethyl ester Formula: C21H29FN3O2+ MolecularWeight: 374.472263

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C21H28FN3O2/c1-3-25-13-10-23-19(25)16-24-11-8-21(9-12-24,20(26)27-4-2)15-17-6-5-7-18(22)14-17/h5-7,10,13-14H,3-4,8-9,11-12,15-16H2,1-2H3/p+1