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

Systemtic Name: [6-[3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxidanylidene-chromen-7-yl]oxy-6-oxidanylidene-hexyl]azanium dichloride Openeye Name: [6-[3-(4-methylthiazol-3-ium-2-yl)-4-oxo-chromen-7-yl]oxy-6-oxo-hexyl]ammonium dichloride CAS Name: [6-[[3-(4-methyl-2-thiazol-3-iumyl)-4-oxo-1-benzopyran-7-yl]oxy]-6-oxohexyl]ammonium dichloride IUPAC Name: [6-[3-(4-methyl-1,3-thiazol-3-ium-2-yl)-4-oxochromen-7-yl]oxy-6-oxohexyl]azanium dichloride Traditional Name: [6-keto-6-[4-keto-3-(4-methylthiazol-3-ium-2-yl)chromen-7-yl]oxy-hexyl]ammonium dichloride Formula: C19H22Cl2N2O4S MolecularWeight: 445.35998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=[NH+]1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCCC[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CC1=CSC(=[NH+]1)C2=COC3=C(C2=O)C=CC(=C3)OC(=O)CCCCC[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C19H20N2O4S.2ClH/c1-12-11-26-19(21-12)15-10-24-16-9-13(6-7-14(16)18(15)23)25-17(22)5-3-2-4-8-20;;/h6-7,9-11H,2-5,8,20H2,1H3;2*1H