ethyl 4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(3-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(3-bromo-4-fluoro-phenyl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(3-bromo-4-fluorophenyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-bromo-4-fluorophenyl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-(3-bromo-4-fluoro-benzyl)piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H19BrFN2O2+ MolecularWeight: 346.215263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H18BrFN2O2/c1-2-20-14(19)18-7-5-17(6-8-18)10-11-3-4-13(16)12(15)9-11/h3-4,9H,2,5-8,10H2,1H3/p+1