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

Systemtic Name: 2-(4-chlorophenyl)ethyl-[(3,4-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl]azanium chloride Openeye Name: 2-(4-chlorophenyl)ethyl-[(7-hydroxy-3,4-dimethyl-2-oxo-chromen-8-yl)methyl]ammonium chloride CAS Name: 2-(4-chlorophenyl)ethyl-[(7-hydroxy-3,4-dimethyl-2-oxo-1-benzopyran-8-yl)methyl]ammonium chloride IUPAC Name: 2-(4-chlorophenyl)ethyl-[(7-hydroxy-3,4-dimethyl-2-oxochromen-8-yl)methyl]azanium chloride Traditional Name: 2-(4-chlorophenyl)ethyl-[(7-hydroxy-2-keto-3,4-dimethyl-chromen-8-yl)methyl]ammonium chloride Formula: C20H21Cl2NO3 MolecularWeight: 394.29164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC3=CC=C(C=C3)Cl)O)C.[Cl-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C[NH2+]CCC3=CC=C(C=C3)Cl)O)C.[Cl-]

InChI

InChI=1S/C20H20ClNO3.ClH/c1-12-13(2)20(24)25-19-16(12)7-8-18(23)17(19)11-22-10-9-14-3-5-15(21)6-4-14;/h3-8,22-23H,9-11H2,1-2H3;1H