(2E)-2-[(1-ethylindol-3-yl)methylidene]-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2E)-2-[(1-ethylindol-3-yl)methylidene]-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2E)-2-[(1-ethyl-3-indolyl)methylidene]-6-hydroxy-7-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2E)-2-[(1-ethylindol-3-yl)methylidene]-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2E)-2-[(1-ethylindol-3-yl)methylene]-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C26H29N2O3+ MolecularWeight: 417.52006

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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+]5CCCC(C5)C

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCC[C@H](C5)C

InChI

InChI=1S/C26H28N2O3/c1-3-28-15-18(19-8-4-5-9-22(19)28)13-24-25(30)20-10-11-23(29)21(26(20)31-24)16-27-12-6-7-17(2)14-27/h4-5,8-11,13,15,17,29H,3,6-7,12,14,16H2,1-2H3/p+1/b24-13+/t17-/m1/s1