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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(1-ethyl-5-methoxy-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethyl-5-methoxyindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-ethyl-5-methoxy-indol-3-yl)methylene]-3-keto-coumaran-6-olate Formula: C27H30N2O4 MolecularWeight: 446.5381

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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+]5CCCCCC5

Isomeric SMILES

CCN1C=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/C27H30N2O4/c1-3-29-16-18(21-15-19(32-2)8-10-23(21)29)14-25-26(31)20-9-11-24(30)22(27(20)33-25)17-28-12-6-4-5-7-13-28/h8-11,14-16,30H,3-7,12-13,17H2,1-2H3/b25-14-