(2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(5-bromo-2-methoxy-benzylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-coumaran-6-olate Formula: C23H25BrN2O4 MolecularWeight: 473.3596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN2O4/c1-3-25-8-10-26(11-9-25)14-18-19(27)6-5-17-22(28)21(30-23(17)18)13-15-12-16(24)4-7-20(15)29-2/h4-7,12-13,27H,3,8-11,14H2,1-2H3/b21-13-