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

Systemtic Name: ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H23FN3O2+ MolecularWeight: 332.392523

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O2/c1-2-24-18(23)14-4-3-9-22(11-14)12-15-10-20-21-17(15)13-5-7-16(19)8-6-13/h5-8,10,14H,2-4,9,11-12H2,1H3,(H,20,21)/p+1/t14-/m0/s1