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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-4-methyl-7-[(4-methyl-1-piperazin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C24H24N2O4 MolecularWeight: 404.45836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCN(CC5)C)[O-]

InChI

InChI=1S/C24H24N2O4/c1-15-11-19(27)18(14-26-9-7-25(2)8-10-26)24-22(15)23(28)21(30-24)13-17-12-16-5-3-4-6-20(16)29-17/h3-6,11-13,27H,7-10,14H2,1-2H3/b21-13-