ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-4-(3-fluorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H31FN3O2+ MolecularWeight: 388.498843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

Isomeric SMILES

CCC1=NC(=C(N1)C)C[NH+]2CCC(CC2)(CC3=CC(=CC=C3)F)C(=O)OCC

InChI

InChI=1S/C22H30FN3O2/c1-4-20-24-16(3)19(25-20)15-26-11-9-22(10-12-26,21(27)28-5-2)14-17-7-6-8-18(23)13-17/h6-8,13H,4-5,9-12,14-15H2,1-3H3,(H,24,25)/p+1