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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3F)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CN(N=C2C3=CC=CC=C3F)C

InChI

InChI=1S/C19H24FN3O2/c1-3-25-19(24)14-7-6-10-23(12-14)13-15-11-22(2)21-18(15)16-8-4-5-9-17(16)20/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3/p+1/t14-/m0/s1