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

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H25BrN2O4 MolecularWeight: 497.381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)C)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=C(C3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)C)[O-]

InChI

InChI=1S/C25H25BrN2O4/c1-3-27-6-8-28(9-7-27)14-19-20(29)10-15(2)23-24(30)22(32-25(19)23)13-18-12-16-11-17(26)4-5-21(16)31-18/h4-5,10-13,29H,3,6-9,14H2,1-2H3/b22-13-