tert-butyl 1-[4-[5-(azidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[4-[5-(azidomethyl)-2-oxidanylidene-1,3-oxazolidin-3-yl]-2-fluoranyl-phenyl]piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[4-[5-(azidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[4-[5-(azidomethyl)-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[4-[5-(azidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-ium-1-carboxylate Traditional Name: 1-[4-[5-(azidomethyl)-2-keto-oxazolidin-3-yl]-2-fluoro-phenyl]piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H26FN6O4+ MolecularWeight: 421.445943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)N3CC(OC3=O)CN=[N+]=[N-])F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)N3CC(OC3=O)CN=[N+]=[N-])F

InChI

InChI=1S/C19H26FN6O4/c1-19(2,3)30-18(28)26(8-6-22-7-9-26)16-5-4-13(10-15(16)20)25-12-14(11-23-24-21)29-17(25)27/h4-5,10,14,22H,6-9,11-12H2,1-3H3/q+1