[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(6-methoxypyridin-3-yl)methyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-[(6-methoxypyridin-3-yl)methyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(6-methoxy-3-pyridyl)methyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(6-methoxy-3-pyridinyl)methyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-[(6-methoxypyridin-3-yl)methyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-[(6-methoxy-3-pyridyl)methyl]ammonium Formula: C16H20BrN2O2+ MolecularWeight: 352.2462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CN=C(C=C2)OC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC2=CN=C(C=C2)OC

InChI

InChI=1S/C16H19BrN2O2/c1-3-14(13-8-12(17)5-6-15(13)20)18-9-11-4-7-16(21-2)19-10-11/h4-8,10,14,18,20H,3,9H2,1-2H3/p+1/t14-/m0/s1