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

Systemtic Name: [(S)-(5-bromanylpyridin-3-yl)-(3,4-diethoxyphenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-3-pyridyl)-(3,4-diethoxyphenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-3-pyridinyl)-(3,4-diethoxyphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromopyridin-3-yl)-(3,4-diethoxyphenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-3-pyridyl)-(3,4-diethoxyphenyl)methyl]ammonium Formula: C16H20BrN2O2+ MolecularWeight: 352.2462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CN=C2)Br)[NH3+])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H](C2=CC(=CN=C2)Br)[NH3+])OCC

InChI

InChI=1S/C16H19BrN2O2/c1-3-20-14-6-5-11(8-15(14)21-4-2)16(18)12-7-13(17)10-19-9-12/h5-10,16H,3-4,18H2,1-2H3/p+1/t16-/m0/s1