N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H13F2N2O3+ MolecularWeight: 343.304226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC4=C(C=C3)OC(O4)(F)F

InChI

InChI=1S/C18H12F2N2O3/c19-18(20)24-15-6-5-14(9-16(15)25-18)21-17(23)11-22-8-7-12-3-1-2-4-13(12)10-22/h1-10H,11H2/p+1