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

Systemtic Name: (2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-3-one CAS Name: (2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-3-benzofuranone IUPAC Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-3-one Formula: C23H23N2O3+ MolecularWeight: 375.44032

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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+]5CCCC5

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)/C=C/3\C(=O)C4=C(O3)C(=C(C=C4)O)C[NH+]5CCCC5

InChI

InChI=1S/C23H22N2O3/c1-24-13-15(16-6-2-3-7-19(16)24)12-21-22(27)17-8-9-20(26)18(23(17)28-21)14-25-10-4-5-11-25/h2-3,6-9,12-13,26H,4-5,10-11,14H2,1H3/p+1/b21-12+