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

Systemtic Name: (2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-(piperidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-7-(1-piperidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-(piperidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C24H25N2O3+ MolecularWeight: 389.4669

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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+]5CCCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCCC5

InChI

InChI=1S/C24H24N2O3/c1-25-14-16(17-7-3-4-8-20(17)25)13-22-23(28)18-9-10-21(27)19(24(18)29-22)15-26-11-5-2-6-12-26/h3-4,7-10,13-14,27H,2,5-6,11-12,15H2,1H3/p+1/b22-13+