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

Systemtic Name: [3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-6-yl]methyl-phenethyl-azanium chloride Openeye Name: [7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-chromen-6-yl]methyl-phenethyl-ammonium chloride CAS Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-1-benzopyran-6-yl]methyl-phenethylammonium chloride IUPAC Name: [7-hydroxy-3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxochromen-6-yl]methyl-phenethylazanium chloride Traditional Name: [7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-chromen-6-yl]methyl-phenethyl-ammonium chloride Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CCC3=CC=CC=C3)O)C)CC(=O)OC.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CCC3=CC=CC=C3)O)C)CC(=O)OC.[Cl-]

InChI

InChI=1S/C23H25NO5.ClH/c1-14-18-11-17(13-24-10-9-16-7-5-4-6-8-16)21(26)15(2)22(18)29-23(27)19(14)12-20(25)28-3;/h4-8,11,24,26H,9-10,12-13H2,1-3H3;1H