(2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxidanylidene-2-(phenylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-2-benzylidene-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-oxo-2-(phenylmethylene)-6-benzofuranolate IUPAC Name: (2Z)-2-benzylidene-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-methyl-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-benzal-7-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-3-keto-4-methyl-coumaran-6-olate Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O4/c1-16-13-19(27)18(15-25-9-7-24(8-10-25)11-12-26)23-21(16)22(28)20(29-23)14-17-5-3-2-4-6-17/h2-6,13-14,26-27H,7-12,15H2,1H3/b20-14-