methyl (2R)-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C18H23FN3O3+ MolecularWeight: 348.391923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCCC3C(=O)OC)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC[C@@H]3C(=O)OC)F

InChI

InChI=1S/C18H22FN3O3/c1-24-16-7-6-12(9-14(16)19)17-13(10-20-21-17)11-22-8-4-3-5-15(22)18(23)25-2/h6-7,9-10,15H,3-5,8,11H2,1-2H3,(H,20,21)/p+1/t15-/m1/s1