ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(2-fluorophenyl)methyl]-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(2-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-(2-fluorobenzyl)-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=CC=C2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=CC=C2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H25FN2O2/c1-2-26-20(25)21(13-18-8-3-4-9-19(18)22)10-6-12-24(16-21)15-17-7-5-11-23-14-17/h3-5,7-9,11,14H,2,6,10,12-13,15-16H2,1H3/p+1/t21-/m0/s1