tert-butyl 1-(2-azanyl-6-fluoranyl-phenyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(2-azanyl-6-fluoranyl-phenyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(2-amino-6-fluoro-phenyl)piperazin-1-ium-1-carboxylate CAS Name: 1-(2-amino-6-fluorophenyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(2-amino-6-fluorophenyl)piperazin-1-ium-1-carboxylate Traditional Name: 1-(2-amino-6-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=CC=C2F)N

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNCC1)C2=C(C=CC=C2F)N

InChI

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