[(S)-(5-bromanylpyridin-3-yl)-(4-butylphenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanylpyridin-3-yl)-(4-butylphenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-3-pyridyl)-(4-butylphenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-3-pyridinyl)-(4-butylphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromopyridin-3-yl)-(4-butylphenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-3-pyridyl)-(4-butylphenyl)methyl]ammonium Formula: C16H20BrN2+ MolecularWeight: 320.2474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19BrN2/c1-2-3-4-12-5-7-13(8-6-12)16(18)14-9-15(17)11-19-10-14/h5-11,16H,2-4,18H2,1H3/p+1/t16-/m0/s1