(3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-2-ethylhexyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(2S)-2-ethylhexyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-2-ethylhexyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-2-ethylhexyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(2S)-2-ethylhexyl]ammonium Formula: C15H24BrFN+ MolecularWeight: 317.260163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[NH2+]CC1=CC(=C(C=C1)F)Br

Isomeric SMILES

CCCC[C@H](CC)C[NH2+]CC1=CC(=C(C=C1)F)Br

InChI

InChI=1S/C15H23BrFN/c1-3-5-6-12(4-2)10-18-11-13-7-8-15(17)14(16)9-13/h7-9,12,18H,3-6,10-11H2,1-2H3/p+1/t12-/m0/s1