tert-butyl 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenoxy]piperidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[2-fluoranyl-4-(phenylmethoxycarbonylamino)phenoxy]piperidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenoxy]piperidin-1-ium-1-carboxylate CAS Name: 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenoxy]-1-piperidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenoxy]piperidin-1-ium-1-carboxylate Traditional Name: 1-[4-(benzyloxycarbonylamino)-2-fluoro-phenoxy]piperidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H30FN2O5+ MolecularWeight: 445.503803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCCC1)OC2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCCC1)OC2=C(C=C(C=C2)NC(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C24H29FN2O5/c1-24(2,3)31-23(29)27(14-8-5-9-15-27)32-21-13-12-19(16-20(21)25)26-22(28)30-17-18-10-6-4-7-11-18/h4,6-7,10-13,16H,5,8-9,14-15,17H2,1-3H3/p+1