(2Z)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(1-methylindol-3-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(1-methylindol-3-yl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(1-methylindol-3-yl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(1-methylindol-3-yl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H22N2O3 MolecularWeight: 374.43238

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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/b21-12-