2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]azaniumyl]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]azaniumyl]ethyl-dimethyl-azanium Openeye Name: 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonio]ethyl-dimethyl-ammonium CAS Name: 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]ammonio]ethyl-dimethylammonium IUPAC Name: 2-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]azaniumyl]ethyl-dimethylazanium Traditional Name: 2-[[(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]ammonio]ethyl-dimethyl-ammonium Formula: C14H22N2O4+2 MolecularWeight: 282.33548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[NH2+]C1C2=C(C(=C(C=C2)OC)OC)C(=O)O1

Isomeric SMILES

C[NH+](C)CC[NH2+][C@H]1C2=C(C(=C(C=C2)OC)OC)C(=O)O1

InChI

InChI=1S/C14H20N2O4/c1-16(2)8-7-15-13-9-5-6-10(18-3)12(19-4)11(9)14(17)20-13/h5-6,13,15H,7-8H2,1-4H3/p+2/t13-/m1/s1