(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-veratrylidene-coumaran-6-olate Formula: C24H28N2O5 MolecularWeight: 424.48952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2)C[NH+]4CCN(CC4)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/O2)C[NH+]4CCN(CC4)C)[O-]

InChI

InChI=1S/C24H28N2O5/c1-15-11-18(27)17(14-26-9-7-25(2)8-10-26)24-22(15)23(28)21(31-24)13-16-5-6-19(29-3)20(12-16)30-4/h5-6,11-13,27H,7-10,14H2,1-4H3/b21-13-