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

Systemtic Name: [1-[6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [2-[6-hexyl-3-(4-methylthiazol-2-yl)-4-oxo-chromen-7-yl]oxy-1-methyl-2-oxo-ethyl]ammonium CAS Name: [1-[[6-hexyl-3-(4-methyl-2-thiazolyl)-4-oxo-1-benzopyran-7-yl]oxy]-1-oxopropan-2-yl]ammonium IUPAC Name: [1-[6-hexyl-3-(4-methyl-1,3-thiazol-2-yl)-4-oxochromen-7-yl]oxy-1-oxopropan-2-yl]azanium Traditional Name: [2-[6-hexyl-4-keto-3-(4-methylthiazol-2-yl)chromen-7-yl]oxy-2-keto-1-methyl-ethyl]ammonium Formula: C22H27N2O4S+ MolecularWeight: 415.52578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)[NH3+]

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)OC(=O)C(C)[NH3+]

InChI

InChI=1S/C22H26N2O4S/c1-4-5-6-7-8-15-9-16-19(10-18(15)28-22(26)14(3)23)27-11-17(20(16)25)21-24-13(2)12-29-21/h9-12,14H,4-8,23H2,1-3H3/p+1