ethyl (2R)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C19H25FN3O2+ MolecularWeight: 346.419103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CN(N=C2C3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CN(N=C2C3=CC=CC=C3F)C

InChI

InChI=1S/C19H24FN3O2/c1-3-25-19(24)17-10-6-7-11-23(17)13-14-12-22(2)21-18(14)15-8-4-5-9-16(15)20/h4-5,8-9,12,17H,3,6-7,10-11,13H2,1-2H3/p+1/t17-/m1/s1