2,3-dihydro-1,4-benzodioxin-6-yl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium chloride

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium chloride Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[[7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium chloride CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]ammonium chloride IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium chloride Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[[7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl]ammonium chloride Formula: C22H22ClNO7 MolecularWeight: 447.86558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CC4=C(C=C3)OCCO4)O)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]C3=CC4=C(C=C3)OCCO4)O)CC(=O)OC.[Cl-]

InChI

InChI=1S/C22H21NO7.ClH/c1-12-14-4-5-17(24)16(21(14)30-22(26)15(12)10-20(25)27-2)11-23-13-3-6-18-19(9-13)29-8-7-28-18;/h3-6,9,23-24H,7-8,10-11H2,1-2H3;1H