1-[4-(diethylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-[4-(diethylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-[4-(diethylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-[4-(diethylamino)phenyl]-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-[4-(diethylamino)phenyl]-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-[4-(diethylamino)phenyl]-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C17H21BrN2O MolecularWeight: 349.26544

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[Br-]

InChI

InChI=1S/C17H21N2O.BrH/c1-3-19(4-2)16-10-8-15(9-11-16)17(20)14-18-12-6-5-7-13-18;/h5-13H,3-4,14H2,1-2H3;1H/q+1;/p-1