(2E)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2E)-7-(azepan-1-ium-1-ylmethyl)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2E)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]benzofuran-3-one CAS Name: (2E)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-benzofuranone IUPAC Name: (2E)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-1-benzofuran-3-one Traditional Name: (2E)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]coumaran-3-one Formula: C25H27N2O3+ MolecularWeight: 403.49348

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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/p+1/b23-14+