tert-butyl 1-[5-(4-fluorophenyl)pyridin-3-yl]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[5-(4-fluorophenyl)pyridin-3-yl]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[5-(4-fluorophenyl)-3-pyridyl]piperidin-1-ium-1-carboxylate CAS Name: 1-[5-(4-fluorophenyl)-3-pyridinyl]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-(4-fluorophenyl)pyridin-3-yl]piperidin-1-ium-1-carboxylate Traditional Name: 1-[5-(4-fluorophenyl)-3-pyridyl]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CN=CC(=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)C2=CN=CC(=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN2O2/c1-21(2,3)26-20(25)24(11-5-4-6-12-24)19-13-17(14-23-15-19)16-7-9-18(22)10-8-16/h7-10,13-15H,4-6,11-12H2,1-3H3/q+1