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

Systemtic Name: (2Z)-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-isopropylphenyl)methylene]-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-isopropylbenzylidene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H25NO3 MolecularWeight: 363.4495

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO3/c1-15(2)17-7-5-16(6-8-17)13-21-22(26)18-9-10-20(25)19(23(18)27-21)14-24-11-3-4-12-24/h5-10,13,15,25H,3-4,11-12,14H2,1-2H3/b21-13-