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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[3-(3-ethoxy-3-oxidanylidene-propyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl]azanium chloride Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[3-(3-ethoxy-3-oxo-propyl)-7-hydroxy-4-methyl-2-oxo-chromen-8-yl]methyl]ammonium chloride CAS Name: 1,3-benzodioxol-5-ylmethyl-[[3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl]methyl]ammonium chloride IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[3-(3-ethoxy-3-oxopropyl)-7-hydroxy-4-methyl-2-oxochromen-8-yl]methyl]azanium chloride Traditional Name: [3-(3-ethoxy-3-keto-propyl)-7-hydroxy-2-keto-4-methyl-chromen-8-yl]methyl-piperonyl-ammonium chloride Formula: C24H26ClNO7 MolecularWeight: 475.91874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC1=O)C.[Cl-]

Isomeric SMILES

CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)O)C[NH2+]CC3=CC4=C(C=C3)OCO4)OC1=O)C.[Cl-]

InChI

InChI=1S/C24H25NO7.ClH/c1-3-29-22(27)9-6-17-14(2)16-5-7-19(26)18(23(16)32-24(17)28)12-25-11-15-4-8-20-21(10-15)31-13-30-20;/h4-5,7-8,10,25-26H,3,6,9,11-13H2,1-2H3;1H