[(S)-(5-bromanylpyridin-3-yl)-(3-chloranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(S)-(5-bromanylpyridin-3-yl)-(3-chloranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [(S)-(5-bromo-3-pyridyl)-(3-chloro-4-methoxy-phenyl)methyl]ammonium CAS Name: [(S)-(5-bromo-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(S)-(5-bromopyridin-3-yl)-(3-chloro-4-methoxyphenyl)methyl]azanium Traditional Name: [(S)-(5-bromo-3-pyridyl)-(3-chloro-4-methoxy-phenyl)methyl]ammonium Formula: C13H13BrClN2O+ MolecularWeight: 328.61212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC(=CN=C2)Br)[NH3+])Cl

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=CC(=CN=C2)Br)[NH3+])Cl

InChI

InChI=1S/C13H12BrClN2O/c1-18-12-3-2-8(5-11(12)15)13(16)9-4-10(14)7-17-6-9/h2-7,13H,16H2,1H3/p+1/t13-/m0/s1