2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]-4-chloranyl-phenol

Systemtic Name: 2-[[(5-bromanylpyridin-1-ium-2-yl)amino]methyl]-4-chloranyl-phenol Openeye Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-4-chloro-phenol CAS Name: 2-[[(5-bromo-2-pyridin-1-iumyl)amino]methyl]-4-chlorophenol IUPAC Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-4-chlorophenol Traditional Name: 2-[[(5-bromopyridin-1-ium-2-yl)amino]methyl]-4-chloro-phenol Formula: C12H11BrClN2O+ MolecularWeight: 314.58554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)CNC2=[NH+]C=C(C=C2)Br)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)CNC2=[NH+]C=C(C=C2)Br)O

InChI

InChI=1S/C12H10BrClN2O/c13-9-1-4-12(16-7-9)15-6-8-5-10(14)2-3-11(8)17/h1-5,7,17H,6H2,(H,15,16)/p+1