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

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(2-thienylmethylene)benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(thiophen-2-ylmethylidene)-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(2-thenylidene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C20H24NO5S+ MolecularWeight: 390.47326

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=CS3)C2=O)O

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CS3)/C2=O)O

InChI

InChI=1S/C20H23NO5S/c1-24-9-7-21(8-10-25-2)13-16-17(22)6-5-15-19(23)18(26-20(15)16)12-14-4-3-11-27-14/h3-6,11-12,22H,7-10,13H2,1-2H3/p+1/b18-12-