(2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2E)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-6-hydroxy-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2E)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2E)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-6-hydroxy-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C26H29N2O4+ MolecularWeight: 433.51946

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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/p+1/b24-13+