dimethyl-[[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dimethyl-[[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methyl-dimethyl-ammonium CAS Name: [(2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-benzofuranyl]methyl-dimethylammonium IUPAC Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dimethylazanium Traditional Name: [(2E)-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-7-yl]methyl-dimethyl-ammonium Formula: C21H21N2O3+ MolecularWeight: 349.40304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)C

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+](C)C

InChI

InChI=1S/C21H20N2O3/c1-22(2)12-16-18(24)9-8-15-20(25)19(26-21(15)16)10-13-11-23(3)17-7-5-4-6-14(13)17/h4-11,24H,12H2,1-3H3/p+1/b19-10+