(2-fluorophenyl)methyl 4-tert-butylpiperazin-4-ium-1-carboxylate bromide

Systemtic Name: (2-fluorophenyl)methyl 4-tert-butylpiperazin-4-ium-1-carboxylate bromide Openeye Name: (2-fluorophenyl)methyl 4-tert-butylpiperazin-4-ium-1-carboxylate bromide CAS Name: 4-tert-butyl-1-piperazin-4-iumcarboxylic acid (2-fluorophenyl)methyl ester bromide IUPAC Name: (2-fluorophenyl)methyl 4-tert-butylpiperazin-4-ium-1-carboxylate bromide Traditional Name: 4-tert-butylpiperazin-4-ium-1-carboxylic acid (2-fluorobenzyl) ester bromide Formula: C16H24BrFN2O2 MolecularWeight: 375.276363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+]1CCN(CC1)C(=O)OCC2=CC=CC=C2F.[Br-]

Isomeric SMILES

CC(C)(C)[NH+]1CCN(CC1)C(=O)OCC2=CC=CC=C2F.[Br-]

InChI

InChI=1S/C16H23FN2O2.BrH/c1-16(2,3)19-10-8-18(9-11-19)15(20)21-12-13-6-4-5-7-14(13)17;/h4-7H,8-12H2,1-3H3;1H