(2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxyphenyl)methylene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-4-methyl-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-2-p-anisylidene-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)OC)O2)C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=C(C=C3)OC)/O2)C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C22H23NO4/c1-14-11-18(24)17(13-23-9-3-4-10-23)22-20(14)21(25)19(27-22)12-15-5-7-16(26-2)8-6-15/h5-8,11-12,24H,3-4,9-10,13H2,1-2H3/b19-12-