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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-7-[(4-ethyl-1-piperazin-1-iumyl)methyl]-4-methyl-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC2=C(C=C(C3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)C)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)CC2=C(C=C(C3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)C)[O-]

InChI

InChI=1S/C25H26N2O4/c1-3-26-8-10-27(11-9-26)15-19-20(28)12-16(2)23-24(29)22(31-25(19)23)14-18-13-17-6-4-5-7-21(17)30-18/h4-7,12-14,28H,3,8-11,15H2,1-2H3/b22-14-