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

Systemtic Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-carbomethoxybenzylidene)-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C24H26N2O5 MolecularWeight: 422.47364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O5/c1-15-12-19(27)18(14-26-10-8-25(2)9-11-26)23-21(15)22(28)20(31-23)13-16-4-6-17(7-5-16)24(29)30-3/h4-7,12-13,27H,8-11,14H2,1-3H3/b20-13-