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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-6-olate Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCCC5

InChI

InChI=1S/C25H26N2O3/c1-26-15-17(18-8-4-5-9-21(18)26)14-23-24(29)19-10-11-22(28)20(25(19)30-23)16-27-12-6-2-3-7-13-27/h4-5,8-11,14-15,28H,2-3,6-7,12-13,16H2,1H3/b23-14-