(3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[(1S)-1,5-dimethylhexyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[(2S)-6-methylheptan-2-yl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[(1S)-1,5-dimethylhexyl]ammonium Formula: C15H24BrFN+ MolecularWeight: 317.260163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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