(2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-2-[(3-methyl-2-thienyl)methylene]coumaran-6-olate Formula: C21H23NO3S MolecularWeight: 369.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=C(C=CS4)C)C3=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=C(C=CS4)C)/C3=O)[O-]

InChI

InChI=1S/C21H23NO3S/c1-13-5-8-22(9-6-13)12-16-17(23)4-3-15-20(24)18(25-21(15)16)11-19-14(2)7-10-26-19/h3-4,7,10-11,13,23H,5-6,8-9,12H2,1-2H3/b18-11-