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

Systemtic Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-ethoxybenzylidene)-3-keto-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

InChI

InChI=1S/C23H26N2O4/c1-3-28-20-7-5-4-6-16(20)14-21-22(27)17-8-9-19(26)18(23(17)29-21)15-25-12-10-24(2)11-13-25/h4-9,14,26H,3,10-13,15H2,1-2H3/b21-14-