bis(2-methoxyethyl)-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-[(3-methyl-2-thienyl)methylene]-3-oxo-benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-2-[(3-methyl-2-thiophenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-[(3-methyl-2-thienyl)methylene]coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C21H26NO5S+ MolecularWeight: 404.49984

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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+](CCOC)CCOC

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14-6-11-28-19(14)12-18-20(24)15-4-5-17(23)16(21(15)27-18)13-22(7-9-25-2)8-10-26-3/h4-6,11-12,23H,7-10,13H2,1-3H3/p+1/b18-12-