ethyl (2R)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[5-(2-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[5-(2-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C19H25FN3O3+ MolecularWeight: 362.418503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=C(NN=C2)C3=C(C=C(C=C3)OC)F

InChI

InChI=1S/C19H24FN3O3/c1-3-26-19(24)17-6-4-5-9-23(17)12-13-11-21-22-18(13)15-8-7-14(25-2)10-16(15)20/h7-8,10-11,17H,3-6,9,12H2,1-2H3,(H,21,22)/p+1/t17-/m1/s1