(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-(4-isopropylbenzylidene)-3-keto-coumaran-6-olate Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C(C)C)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C(C)C)/C3=O)[O-]

InChI

InChI=1S/C25H30N2O3/c1-4-26-11-13-27(14-12-26)16-21-22(28)10-9-20-24(29)23(30-25(20)21)15-18-5-7-19(8-6-18)17(2)3/h5-10,15,17,28H,4,11-14,16H2,1-3H3/b23-15-