(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-methyl-2-furyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(5-methyl-2-furanyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(5-methyl-2-furyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C19H19NO4 MolecularWeight: 325.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C19H19NO4/c1-12-4-5-13(23-12)10-17-18(22)14-6-7-16(21)15(19(14)24-17)11-20-8-2-3-9-20/h4-7,10,21H,2-3,8-9,11H2,1H3/b17-10-