1-[4-[5-bromanyl-6-(pyridin-1-ium-1-ylamino)pyridin-3-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5-bromanyl-6-(pyridin-1-ium-1-ylamino)pyridin-3-yl]phenyl]ethanone Openeye Name: 1-[4-[5-bromo-6-(pyridin-1-ium-1-ylamino)-3-pyridyl]phenyl]ethanone CAS Name: 1-[4-[5-bromo-6-(1-pyridin-1-iumylamino)-3-pyridinyl]phenyl]ethanone IUPAC Name: 1-[4-[5-bromo-6-(pyridin-1-ium-1-ylamino)pyridin-3-yl]phenyl]ethanone Traditional Name: 1-[4-[5-bromo-6-(pyridin-1-ium-1-ylamino)-3-pyridyl]phenyl]ethanone Formula: C18H15BrN3O+ MolecularWeight: 369.2352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N[N+]3=CC=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC(=C(N=C2)N[N+]3=CC=CC=C3)Br

InChI

InChI=1S/C18H14BrN3O/c1-13(23)14-5-7-15(8-6-14)16-11-17(19)18(20-12-16)21-22-9-3-2-4-10-22/h2-12H,1H3/p+1