(5-bromanyl-2-fluoranyl-phenyl)methyl-(7-methyloctyl)azanium

Systemtic Name: (5-bromanyl-2-fluoranyl-phenyl)methyl-(7-methyloctyl)azanium Openeye Name: (5-bromo-2-fluoro-phenyl)methyl-(7-methyloctyl)ammonium CAS Name: (5-bromo-2-fluorophenyl)methyl-(7-methyloctyl)ammonium IUPAC Name: (5-bromo-2-fluorophenyl)methyl-(7-methyloctyl)azanium Traditional Name: (5-bromo-2-fluoro-benzyl)-(7-methyloctyl)ammonium Formula: C16H26BrFN+ MolecularWeight: 331.286743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25BrFN/c1-13(2)7-5-3-4-6-10-19-12-14-11-15(17)8-9-16(14)18/h8-9,11,13,19H,3-7,10,12H2,1-2H3/p+1