[3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-chromen-7-yl]-diethyl-azanium bromide

Systemtic Name: [3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-oxidanylidene-chromen-7-yl]-diethyl-azanium bromide Openeye Name: [3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-oxo-chromen-7-yl]-diethyl-ammonium bromide CAS Name: [3-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]-2-oxo-1-benzopyran-7-yl]-diethylammonium bromide IUPAC Name: [3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-oxochromen-7-yl]-diethylazanium bromide Traditional Name: [3-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-keto-chromen-7-yl]-diethyl-ammonium bromide Formula: C24H25BrN2O4S MolecularWeight: 517.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC.[Br-]

Isomeric SMILES

CC[NH+](CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=CS3)C4=CC(=C(C=C4)OC)OC.[Br-]

InChI

InChI=1S/C24H24N2O4S.BrH/c1-5-26(6-2)17-9-7-16-11-18(24(27)30-21(16)13-17)23-25-19(14-31-23)15-8-10-20(28-3)22(12-15)29-4;/h7-14H,5-6H2,1-4H3;1H