1-[1-[(2-bromanylquinolin-3-yl)methyl]pyridin-1-ium-4-yl]ethanone bromide

Systemtic Name: 1-[1-[(2-bromanylquinolin-3-yl)methyl]pyridin-1-ium-4-yl]ethanone bromide Openeye Name: 1-[1-[(2-bromo-3-quinolyl)methyl]pyridin-1-ium-4-yl]ethanone bromide CAS Name: 1-[1-[(2-bromo-3-quinolinyl)methyl]-4-pyridin-1-iumyl]ethanone bromide IUPAC Name: 1-[1-[(2-bromoquinolin-3-yl)methyl]pyridin-1-ium-4-yl]ethanone bromide Traditional Name: 1-[1-[(2-bromo-3-quinolyl)methyl]pyridin-1-ium-4-yl]ethanone bromide Formula: C17H14Br2N2O MolecularWeight: 422.11386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Br.[Br-]

Isomeric SMILES

CC(=O)C1=CC=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Br.[Br-]

InChI

InChI=1S/C17H14BrN2O.BrH/c1-12(21)13-6-8-20(9-7-13)11-15-10-14-4-2-3-5-16(14)19-17(15)18;/h2-10H,11H2,1H3;1H/q+1;/p-1