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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)[NH3+].[Cl-].[Cl-]

Isomeric SMILES

CCC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)[NH3+].[Cl-].[Cl-]

InChI

InChI=1S/C19H20N2O4S.2ClH/c1-4-10(2)17(20)19(23)25-12-5-6-13-16(7-12)24-8-14(18(13)22)15-9-26-11(3)21-15;;/h5-10,17H,4,20H2,1-3H3;2*1H