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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCCCC5

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)OC)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCCCC5

InChI

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