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

Systemtic Name: [6-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxy-6-oxidanylidene-hexyl]azanium Openeye Name: [6-[6-ethyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl]oxy-6-oxo-hexyl]ammonium CAS Name: [6-[[6-ethyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]-6-oxohexyl]ammonium IUPAC Name: [6-[6-ethyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxy-6-oxohexyl]azanium Traditional Name: [6-[6-ethyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl]oxy-6-keto-hexyl]ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)CCCCC[NH3+]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)CCCCC[NH3+]

InChI

InChI=1S/C21H24N2O4S/c1-3-14-9-15-18(10-17(14)27-19(24)7-5-4-6-8-22)26-11-16(20(15)25)21-23-13(2)12-28-21/h9-12H,3-8,22H2,1-2H3/p+1