dimethyl-[[8-methyl-3-(2-methyl-1,3-thiazol-3-ium-4-yl)-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl]azanium dichloride

Systemtic Name: dimethyl-[[8-methyl-3-(2-methyl-1,3-thiazol-3-ium-4-yl)-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl]azanium dichloride Openeye Name: [7-hydroxy-8-methyl-3-(2-methylthiazol-3-ium-4-yl)-4-oxo-chromen-6-yl]methyl-dimethyl-ammonium dichloride CAS Name: [7-hydroxy-8-methyl-3-(2-methyl-4-thiazol-3-iumyl)-4-oxo-1-benzopyran-6-yl]methyl-dimethylammonium dichloride IUPAC Name: [7-hydroxy-8-methyl-3-(2-methyl-1,3-thiazol-3-ium-4-yl)-4-oxochromen-6-yl]methyl-dimethylazanium dichloride Traditional Name: [7-hydroxy-4-keto-8-methyl-3-(2-methylthiazol-3-ium-4-yl)chromen-6-yl]methyl-dimethyl-ammonium dichloride Formula: C17H20Cl2N2O3S MolecularWeight: 403.3233

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CSC(=[NH+]3)C.[Cl-].[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CSC(=[NH+]3)C.[Cl-].[Cl-]

InChI

InChI=1S/C17H18N2O3S.2ClH/c1-9-15(20)11(6-19(3)4)5-12-16(21)13(7-22-17(9)12)14-8-23-10(2)18-14;;/h5,7-8,20H,6H2,1-4H3;2*1H