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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C19H17N2O3+ MolecularWeight: 321.34988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3/c22-19(13-21-8-7-14-3-1-2-4-15(14)12-21)20-16-5-6-17-18(11-16)24-10-9-23-17/h1-8,11-12H,9-10,13H2/p+1