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

Systemtic Name: ethyl (3S)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H24FN2O2+ MolecularWeight: 331.404463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC=CN2C3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC=CN2C3=CC=CC=C3F

InChI

InChI=1S/C19H23FN2O2/c1-2-24-19(23)15-7-5-11-21(13-15)14-16-8-6-12-22(16)18-10-4-3-9-17(18)20/h3-4,6,8-10,12,15H,2,5,7,11,13-14H2,1H3/p+1/t15-/m0/s1