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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

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