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

Systemtic Name: methyl (2S)-1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S)-1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C17H21FN3O3+ MolecularWeight: 334.365343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC3C(=O)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O3/c1-23-15-6-5-11(8-13(15)18)16-12(9-19-20-16)10-21-7-3-4-14(21)17(22)24-2/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1