[(2R)-2-(azocan-1-ium-1-yl)-2-(5-bromanyl-2-fluoranyl-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(5-bromanyl-2-fluoranyl-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(5-bromo-2-fluoro-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azocan-1-iumyl)-2-(5-bromo-2-fluorophenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(5-bromo-2-fluorophenyl)ethyl]azanium Traditional Name: [(2R)-2-(azocan-1-ium-1-yl)-2-(5-bromo-2-fluoro-phenyl)ethyl]ammonium Formula: C15H24BrFN2+2 MolecularWeight: 331.266863

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)C(C[NH3+])C2=C(C=CC(=C2)Br)F

Isomeric SMILES

C1CCC[NH+](CCC1)[C@@H](C[NH3+])C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C15H22BrFN2/c16-12-6-7-14(17)13(10-12)15(11-18)19-8-4-2-1-3-5-9-19/h6-7,10,15H,1-5,8-9,11,18H2/p+2/t15-/m0/s1