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

Systemtic Name: [(1R)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [(1R)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [(1R)-3-keto-4,5-dimethoxy-phthalan-1-yl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C19H22NO5+ MolecularWeight: 344.38168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH2+]C2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH2+][C@H]2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C19H21NO5/c1-22-13-6-4-12(5-7-13)10-11-20-18-14-8-9-15(23-2)17(24-3)16(14)19(21)25-18/h4-9,18,20H,10-11H2,1-3H3/p+1/t18-/m1/s1