tert-butyl 1-(4-azanyl-2-fluoranyl-phenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-azanyl-2-fluoranyl-phenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-amino-2-fluoro-phenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(4-amino-2-fluorophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-amino-2-fluorophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-amino-2-fluoro-phenyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C15H23FN3O2+ MolecularWeight: 296.360423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)N)F

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=C(C=C2)N)F

InChI

InChI=1S/C15H23FN3O2/c1-15(2,3)21-14(20)19(8-6-18-7-9-19)13-5-4-11(17)10-12(13)16/h4-5,10,18H,6-9,17H2,1-3H3/q+1