(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(5-methyl-2-furanyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-6-olate Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCCC4

InChI

InChI=1S/C21H23NO4/c1-14-6-7-15(25-14)12-19-20(24)16-8-9-18(23)17(21(16)26-19)13-22-10-4-2-3-5-11-22/h6-9,12,23H,2-5,10-11,13H2,1H3/b19-12-