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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethylindol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(1-ethyl-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethylindol-3-yl)methylene]-3-keto-coumaran-6-olate Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCCC5

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCCC5

InChI

InChI=1S/C26H28N2O3/c1-2-28-16-18(19-9-5-6-10-22(19)28)15-24-25(30)20-11-12-23(29)21(26(20)31-24)17-27-13-7-3-4-8-14-27/h5-6,9-12,15-16,29H,2-4,7-8,13-14,17H2,1H3/b24-15-