1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-1-yl-ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-quinolin-1-iumyl)ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-1-ylethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-1-ium-1-yl-ethanone bromide Formula: C19H16BrNO3 MolecularWeight: 386.23924

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=CC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C19H16NO3.BrH/c21-17(15-7-8-18-19(12-15)23-11-10-22-18)13-20-9-3-5-14-4-1-2-6-16(14)20;/h1-9,12H,10-11,13H2;1H/q+1;/p-1