(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(benzofuran-2-ylmethylene)-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-(2-benzofuranylmethylidene)-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(1-benzofuran-2-ylmethylidene)-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(benzofuran-2-ylmethylene)-3-keto-coumaran-6-olate Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)[O-]

InChI

InChI=1S/C24H23NO4/c26-20-10-9-18-23(27)22(14-17-13-16-7-3-4-8-21(16)28-17)29-24(18)19(20)15-25-11-5-1-2-6-12-25/h3-4,7-10,13-14,26H,1-2,5-6,11-12,15H2/b22-14-