(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-keto-2-veratrylidene-coumaran-6-olate Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCCC4)OC

InChI

InChI=1S/C24H27NO5/c1-28-20-10-7-16(13-21(20)29-2)14-22-23(27)17-8-9-19(26)18(24(17)30-22)15-25-11-5-3-4-6-12-25/h7-10,13-14,26H,3-6,11-12,15H2,1-2H3/b22-14-