2-[[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]methyl]-4-methyl-phenol

Systemtic Name: 2-[[[3,5-bis(bromanyl)pyridin-1-ium-2-yl]amino]methyl]-4-methyl-phenol Openeye Name: 2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]-4-methyl-phenol CAS Name: 2-[[(3,5-dibromo-2-pyridin-1-iumyl)amino]methyl]-4-methylphenol IUPAC Name: 2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]-4-methylphenol Traditional Name: 2-[[(3,5-dibromopyridin-1-ium-2-yl)amino]methyl]-4-methyl-phenol Formula: C13H13Br2N2O+ MolecularWeight: 373.06312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)CNC2=C(C=C(C=[NH+]2)Br)Br

Isomeric SMILES

CC1=CC(=C(C=C1)O)CNC2=C(C=C(C=[NH+]2)Br)Br

InChI

InChI=1S/C13H12Br2N2O/c1-8-2-3-12(18)9(4-8)6-16-13-11(15)5-10(14)7-17-13/h2-5,7,18H,6H2,1H3,(H,16,17)/p+1