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

Systemtic Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-2-(p-tolylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(4-methylbenzylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC4

InChI

InChI=1S/C21H21NO3/c1-14-4-6-15(7-5-14)12-19-20(24)16-8-9-18(23)17(21(16)25-19)13-22-10-2-3-11-22/h4-9,12,23H,2-3,10-11,13H2,1H3/b19-12-