1,3-benzodioxol-5-ylmethyl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium chloride

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]ammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl]azanium chloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-piperonyl-ammonium chloride Formula: C22H22ClNO7 MolecularWeight: 447.86558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)O)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CC3=CC4=C(C=C3)OCO4)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)8-20(25)27-2)10-23-9-13-3-6-18-19(7-13)29-11-28-18;/h3-7,23-24H,8-11H2,1-2H3;1H