(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-methyl-2-thienyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(3-methyl-2-thienyl)methylene]-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(SC=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C20H21NO3S/c1-13-7-10-25-18(13)11-17-19(23)14-5-6-16(22)15(20(14)24-17)12-21-8-3-2-4-9-21/h5-7,10-11,22H,2-4,8-9,12H2,1H3/b17-11-