(2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCC5

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)OC)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCC5

InChI

InChI=1S/C26H28N2O4/c1-3-28-15-17(20-14-18(31-2)7-9-22(20)28)13-24-25(30)19-8-10-23(29)21(26(19)32-24)16-27-11-5-4-6-12-27/h7-10,13-15,29H,3-6,11-12,16H2,1-2H3/b24-13-