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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-oxidanylidene-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylene]benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-oxo-2-[(2,3,4-trimethoxyphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-keto-2-(2,3,4-trimethoxybenzylidene)coumaran-6-olate Formula: C25H29NO6 MolecularWeight: 439.50086

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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)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)OC

InChI

InChI=1S/C25H29NO6/c1-29-20-11-8-16(23(30-2)25(20)31-3)14-21-22(28)17-9-10-19(27)18(24(17)32-21)15-26-12-6-4-5-7-13-26/h8-11,14,27H,4-7,12-13,15H2,1-3H3/b21-14-