[(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-phenethyl-azanium

Systemtic Name: [(1S)-4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl]-phenethyl-azanium Openeye Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-phenethyl-ammonium CAS Name: [(1S)-4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl]-phenethylammonium IUPAC Name: [(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-phenethylazanium Traditional Name: [(1S)-3-keto-4,5-dimethoxy-phthalan-1-yl]-phenethyl-ammonium Formula: C18H20NO4+ MolecularWeight: 314.3557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(OC2=O)[NH2+]CCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)[C@H](OC2=O)[NH2+]CCC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19NO4/c1-21-14-9-8-13-15(16(14)22-2)18(20)23-17(13)19-11-10-12-6-4-3-5-7-12/h3-9,17,19H,10-11H2,1-2H3/p+1/t17-/m0/s1