(5-bromanyl-2-fluoranyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (5-bromo-2-fluoro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (5-bromo-2-fluorophenyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (5-bromo-2-fluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (5-bromo-2-fluoro-phenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C13H17BrFN2O+ MolecularWeight: 316.189283

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C13H16BrFN2O/c1-2-16-5-7-17(8-6-16)13(18)11-9-10(14)3-4-12(11)15/h3-4,9H,2,5-8H2,1H3/p+1