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

Systemtic Name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(5-methyl-2-furyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(5-methyl-2-furanyl)methylidene]-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(5-methyl-2-furyl)methylene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCN(CC4)C

InChI

InChI=1S/C20H22N2O4/c1-13-3-4-14(25-13)11-18-19(24)15-5-6-17(23)16(20(15)26-18)12-22-9-7-21(2)8-10-22/h3-6,11,23H,7-10,12H2,1-2H3/b18-11-