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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCCC5

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCCC5

InChI

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