(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-bromo-2-methoxy-phenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(5-bromo-2-methoxy-benzylidene)-3-keto-coumaran-6-olate Formula: C23H24BrNO4 MolecularWeight: 458.34496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO4/c1-28-20-9-6-16(24)12-15(20)13-21-22(27)17-7-8-19(26)18(23(17)29-21)14-25-10-4-2-3-5-11-25/h6-9,12-13,26H,2-5,10-11,14H2,1H3/b21-13-