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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-ethanone CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isoquinolin-2-iumyl)ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-ylethanone Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-ethanone Formula: C19H16NO3+ MolecularWeight: 306.33524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16NO3/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/q+1