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

Systemtic Name: [1-[6-butyl-3-(2-methyl-1,3-thiazol-3-ium-4-yl)-4-oxidanylidene-chromen-7-yl]oxy-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [1-[6-butyl-3-(2-methylthiazol-3-ium-4-yl)-4-oxo-chromen-7-yl]oxycarbonyl-2-methyl-propyl]ammonium CAS Name: [1-[[6-butyl-3-(2-methyl-4-thiazol-3-iumyl)-4-oxo-1-benzopyran-7-yl]oxy]-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [1-[6-butyl-3-(2-methyl-1,3-thiazol-3-ium-4-yl)-4-oxochromen-7-yl]oxy-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [1-[6-butyl-4-keto-3-(2-methylthiazol-3-ium-4-yl)chromen-7-yl]oxycarbonyl-2-methyl-propyl]ammonium Formula: C22H28N2O4S+2 MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)OC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CSC(=[NH+]3)C)OC(=O)C(C(C)C)[NH3+]

InChI

InChI=1S/C22H26N2O4S/c1-5-6-7-14-8-15-19(9-18(14)28-22(26)20(23)12(2)3)27-10-16(21(15)25)17-11-29-13(4)24-17/h8-12,20H,5-7,23H2,1-4H3/p+2