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

Systemtic Name: [(S)-(4-bromanyl-2-fluoranyl-phenyl)-(4-butylphenyl)methyl]azanium Openeye Name: [(S)-(4-bromo-2-fluoro-phenyl)-(4-butylphenyl)methyl]ammonium CAS Name: [(S)-(4-bromo-2-fluorophenyl)-(4-butylphenyl)methyl]ammonium IUPAC Name: [(S)-(4-bromo-2-fluorophenyl)-(4-butylphenyl)methyl]azanium Traditional Name: [(S)-(4-bromo-2-fluoro-phenyl)-(4-butylphenyl)methyl]ammonium Formula: C17H20BrFN+ MolecularWeight: 337.249803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=C(C=C(C=C2)Br)F)[NH3+]

Isomeric SMILES

CCCCC1=CC=C(C=C1)[C@@H](C2=C(C=C(C=C2)Br)F)[NH3+]

InChI

InChI=1S/C17H19BrFN/c1-2-3-4-12-5-7-13(8-6-12)17(20)15-10-9-14(18)11-16(15)19/h5-11,17H,2-4,20H2,1H3/p+1/t17-/m0/s1