1-[4-[6-bromanyl-3-(pyridin-1-ium-1-ylamino)pyrazin-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[6-bromanyl-3-(pyridin-1-ium-1-ylamino)pyrazin-2-yl]phenyl]ethanone Openeye Name: 1-[4-[6-bromo-3-(pyridin-1-ium-1-ylamino)pyrazin-2-yl]phenyl]ethanone CAS Name: 1-[4-[6-bromo-3-(1-pyridin-1-iumylamino)-2-pyrazinyl]phenyl]ethanone IUPAC Name: 1-[4-[6-bromo-3-(pyridin-1-ium-1-ylamino)pyrazin-2-yl]phenyl]ethanone Traditional Name: 1-[4-[6-bromo-3-(pyridin-1-ium-1-ylamino)pyrazin-2-yl]phenyl]ethanone Formula: C17H14BrN4O+ MolecularWeight: 370.22326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=NC(=CN=C2N[N+]3=CC=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=NC(=CN=C2N[N+]3=CC=CC=C3)Br

InChI

InChI=1S/C17H13BrN4O/c1-12(23)13-5-7-14(8-6-13)16-17(19-11-15(18)20-16)21-22-9-3-2-4-10-22/h2-11H,1H3/p+1