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

Systemtic Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-2-[(2-methyl-2H-chromen-3-yl)methylene]coumaran-6-olate Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5OC4C)C3=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5OC4C)/C3=O)[O-]

InChI

InChI=1S/C26H28N2O4/c1-3-27-10-12-28(13-11-27)16-21-22(29)9-8-20-25(30)24(32-26(20)21)15-19-14-18-6-4-5-7-23(18)31-17(19)2/h4-9,14-15,17,29H,3,10-13,16H2,1-2H3/b24-15-