(5-bromanyl-2-fluoranyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C15H24BrFN+ MolecularWeight: 317.260163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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